***************************************************
                    Input file
***************************************************

#
# File Name
#

System.CurrrentDir    ./             # default=./
System.Name           V_CA13
Log.print             off            # ON|OFF

System.UseRestartfile  yes           # NO|YES, default=NO
System.Restartfile     V_CA13      # default=null

#
# Calculation type
#

eq.type               dirac          # sch|sdirac|dirac 
calc.type             VPS            # ALL|VPS|PAO
xc.type               LDA            # LDA|GGA

#
# Atom
#

AtomSpecies             23
max.occupied.N           4
total.electron        23.0
valence.electron      13.0 
<occupied.electrons 
 1   2.0
 2   2.0  6.0
 3   2.0  6.0  3.0
 4   2.0  0.0  0.0  0.0
occupied.electrons>

#
# parameters for solving 1D-differential equations
#

grid.xmin             -8.0           # default=-7.0 rmin(a.u.)=exp(grid.xmin)
grid.xmax              3.2           # default= 2.5 rmax(a.u.)=exp(grid.xmax)
grid.num             12000           # default=4000
grid.num.output        500           # default=2000

#
# SCF
#

scf.maxIter             60           # 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  0.800         # default=0.800 
scf.Mixing.History      7            # default=5
scf.Mixing.StartPulay   7            # default=6
scf.criterion         1.0e-14        # default=1.0e-9

#
# Pseudo potetial, cutoff (A.U.)
#

vps.type               MBK           # BHS|TM        
number.vps              7
<pseudo.NandL
 0  3  0  1.10  0.0 
 1  3  1  1.70  0.0 
 2  3  2  1.45  0.0  
 3  4  0  2.30  0.0
 4  4  1  2.40  0.0
 5  4  2  2.90  0.7
 6  4  3  1.20  0.0
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           1.40          # default=smallest_cutoff_vps
local.origin.ratio     2.20          # 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            100          # default=50
<log.deri.R
 0  2.9 2.9
 1  2.9 2.9
 2  2.9 2.9
 3  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         on           # ON|OFF
pcc.ratio              0.06          # default=1.0     
pcc.ratio.origin      12.0           # default=6.0     

#
# Pseudo atomic orbitals
#

maxL.pao                3            # default=2
num.pao                15            # default=7 
radial.cutoff.pao      6.0           # 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       60.000           # default=20.000 (Hartree)
num.of.partition      2200           # default=300
matching.point.ratio  0.67           # default=0.67

*****************************************************
    SCF history in all electron calculations      
*****************************************************

 SCF=   1  Eeigen=-568.7357073073828 (Hartree)  NormRD=  2.1787759276045
 SCF=   2  Eeigen=-568.0479527770622 (Hartree)  NormRD=  2.0242413389908
 SCF=   3  Eeigen=-567.9304873886174 (Hartree)  NormRD=  1.9635133660665
 SCF=   4  Eeigen=-565.8560639874627 (Hartree)  NormRD=  0.4310282019933
 SCF=   5  Eeigen=-565.0706520267515 (Hartree)  NormRD=  0.1327226367309
 SCF=   6  Eeigen=-563.5690511986670 (Hartree)  NormRD=  0.0032481268698
 SCF=   7  Eeigen=-564.4542504319146 (Hartree)  NormRD=  0.0010291486698
 SCF=   8  Eeigen=-563.5073589629927 (Hartree)  NormRD=  0.0009890002145
 SCF=   9  Eeigen=-564.5019398658436 (Hartree)  NormRD=  0.0010927136622
 SCF=  10  Eeigen=-564.0059959091973 (Hartree)  NormRD=  0.0000011505321
 SCF=  11  Eeigen=-563.9884550145641 (Hartree)  NormRD=  0.0000000207162
 SCF=  12  Eeigen=-563.9880281249161 (Hartree)  NormRD=  0.0000000076271
 SCF=  13  Eeigen=-563.9880480356258 (Hartree)  NormRD=  0.0000000009556
 SCF=  14  Eeigen=-563.9880606111024 (Hartree)  NormRD=  0.0000000000787
 SCF=  15  Eeigen=-563.9880616197044 (Hartree)  NormRD=  0.0000000000080
 SCF=  16  Eeigen=-563.9880618976824 (Hartree)  NormRD=  0.0000000000071
 SCF=  17  Eeigen=-563.9880619024606 (Hartree)  NormRD=  0.0000000000071
 SCF=  18  Eeigen=-563.9880619072285 (Hartree)  NormRD=  0.0000000000071
 SCF=  19  Eeigen=-563.9880619119908 (Hartree)  NormRD=  0.0000000000071
 SCF=  20  Eeigen=-563.9880619167419 (Hartree)  NormRD=  0.0000000000071
 SCF=  21  Eeigen=-563.9880619214844 (Hartree)  NormRD=  0.0000000000071
 SCF=  22  Eeigen=-563.9880619262196 (Hartree)  NormRD=  0.0000000000070
 SCF=  23  Eeigen=-563.9880619309473 (Hartree)  NormRD=  0.0000000000070
 SCF=  24  Eeigen=-563.9880619356665 (Hartree)  NormRD=  0.0000000000070
 SCF=  25  Eeigen=-563.9880619403773 (Hartree)  NormRD=  0.0000000000070
 SCF=  26  Eeigen=-563.9880619450788 (Hartree)  NormRD=  0.0000000000070
 SCF=  27  Eeigen=-563.9880619497733 (Hartree)  NormRD=  0.0000000000070
 SCF=  28  Eeigen=-563.9880619544589 (Hartree)  NormRD=  0.0000000000070
 SCF=  29  Eeigen=-563.9880619591390 (Hartree)  NormRD=  0.0000000000069
 SCF=  30  Eeigen=-563.9880619638061 (Hartree)  NormRD=  0.0000000000069
 SCF=  31  Eeigen=-563.9880619684677 (Hartree)  NormRD=  0.0000000000069
 SCF=  32  Eeigen=-563.9880619731207 (Hartree)  NormRD=  0.0000000000069
 SCF=  33  Eeigen=-563.9880619777656 (Hartree)  NormRD=  0.0000000000069
 SCF=  34  Eeigen=-563.9880619824052 (Hartree)  NormRD=  0.0000000000069
 SCF=  35  Eeigen=-563.9880619870341 (Hartree)  NormRD=  0.0000000000069
 SCF=  36  Eeigen=-563.9880619916545 (Hartree)  NormRD=  0.0000000000068
 SCF=  37  Eeigen=-563.9880619962665 (Hartree)  NormRD=  0.0000000000068
 SCF=  38  Eeigen=-563.9880620008732 (Hartree)  NormRD=  0.0000000000068
 SCF=  39  Eeigen=-563.9880620054709 (Hartree)  NormRD=  0.0000000000068
 SCF=  40  Eeigen=-563.9880620100588 (Hartree)  NormRD=  0.0000000000068
 SCF=  41  Eeigen=-563.9880620146412 (Hartree)  NormRD=  0.0000000000068
 SCF=  42  Eeigen=-563.9880620192156 (Hartree)  NormRD=  0.0000000000068
 SCF=  43  Eeigen=-563.9880620237803 (Hartree)  NormRD=  0.0000000000067
 SCF=  44  Eeigen=-563.9880620283374 (Hartree)  NormRD=  0.0000000000067
 SCF=  45  Eeigen=-563.9880620328869 (Hartree)  NormRD=  0.0000000000067
 SCF=  46  Eeigen=-563.9880620374291 (Hartree)  NormRD=  0.0000000000067
 SCF=  47  Eeigen=-563.9880620419618 (Hartree)  NormRD=  0.0000000000067
 SCF=  48  Eeigen=-563.9880620464910 (Hartree)  NormRD=  0.0000000000067
 SCF=  49  Eeigen=-563.9880620510080 (Hartree)  NormRD=  0.0000000000067
 SCF=  50  Eeigen=-563.9880620555190 (Hartree)  NormRD=  0.0000000000066
 SCF=  51  Eeigen=-563.9880620600211 (Hartree)  NormRD=  0.0000000000066
 SCF=  52  Eeigen=-563.9880620645168 (Hartree)  NormRD=  0.0000000000066
 SCF=  53  Eeigen=-563.9880620690027 (Hartree)  NormRD=  0.0000000000066
 SCF=  54  Eeigen=-563.9880620734818 (Hartree)  NormRD=  0.0000000000066
 SCF=  55  Eeigen=-563.9880620779546 (Hartree)  NormRD=  0.0000000000066
 SCF=  56  Eeigen=-563.9880620824176 (Hartree)  NormRD=  0.0000000000066
 SCF=  57  Eeigen=-563.9880620868747 (Hartree)  NormRD=  0.0000000000066
 SCF=  58  Eeigen=-563.9880620913241 (Hartree)  NormRD=  0.0000000000065
 SCF=  59  Eeigen=-563.9880620957659 (Hartree)  NormRD=  0.0000000000065
 SCF=  60  Eeigen=-563.9880621001979 (Hartree)  NormRD=  0.0000000000000

*****************************************************
 Eigenvalues (Hartree) in the all electron calculation
*****************************************************

                         j=l+1/2                j=l-1/2
 n=  1  l=  0      -196.5261997848718     -196.5261997848718
 n=  2  l=  0       -22.0680475181952      -22.0680475181952
 n=  2  l=  1       -18.3723467150902      -18.6322937514404
 n=  3  l=  0        -2.5632549996754       -2.5632549996754
 n=  3  l=  1        -1.6029874106754       -1.6338310096939
 n=  3  l=  2        -0.1961406370672       -0.1985676097077
 n=  4  l=  0        -0.1783092319255       -0.1783092319255


*****************************************************
 Energies (Hartree) in the all electron calculation 
*****************************************************

 Eeigen =     -563.9880621001979
 Ekin   =      957.2398638909700
 EHart  =      397.2336138872300
 Exc    =      -43.1723046688482
 Eec    =    -2258.5628848862707
 Etot   = Ekin + EHart + Exc + Eec
 Etot   =     -947.2617117769188


***********************************************************
** DATA for factorized norm conserving pseudo potentials **
***********************************************************

j.dependent.pseudo.potentials   on

<VPS> L=0, dif of log deris for all electrons =    4.9490085516    4.9490085516
<VPS> L=0, dif of log deris for semi local    =  983.9119790048  983.9119790048
<VPS> L=1, dif of log deris for all electrons =    0.1260817005    0.2957205990
<VPS> L=1, dif of log deris for semi local    =   66.3163842702 204828.4446661940
<VPS> L=2, dif of log deris for all electrons =    3.4933957250    2.3095953751
<VPS> L=2, dif of log deris for semi local    = 1452.3359018523 1523.1376649284
<VPS> L=3, dif of log deris for all electrons =    0.0000505810    0.0130730468
<VPS> L=3, dif of log deris for semi local    =    0.3130436590    0.3287923216

<project.energies
10
 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
 3   -1.00000000000000e+00  -1.00000000000000e+00
 3   -1.00000000000000e+00  -1.00000000000000e+00
 3    1.00000000000000e+00   1.00000000000000e+00
 3   -1.00000000000000e+00  -1.00000000000000e+00
project.energies>

<Pseudo.Potentials
-8.00000000000000e+00 3.35462627902512e-04  -2.04321987493923e+01   -5.42058090992364e+00 -5.42058090992364e+00  1.22524811351588e+01 1.22524811351588e+01  -5.65632115418429e-03 -3.49156438896201e-03  -7.72593694317545e-03 -5.37394204273941e-03  9.72411144060420e-06 9.75964910674274e-06  -1.44012515731894e-05 -1.44356770192077e-05  -3.02777717113618e-09 -3.01911606626228e-09  1.18625234464127e-08 1.17403555768612e-08  -3.09651094228341e-09 -3.57915446625719e-09  3.01956217090638e-08 3.02190981721428e-08
-7.97755711422846e+00 3.43076496352363e-04  -2.04321987493923e+01   -5.42058197472658e+00 -5.42058197472658e+00  1.22524812343975e+01 1.22524812343975e+01  -5.78470061170518e-03 -3.57081112945511e-03  -7.90128937094796e-03 -5.49591213802298e-03  1.01705294587117e-05 1.02076986006133e-05  -1.50623885152975e-05 -1.50983943734454e-05  -3.23865263587999e-09 -3.22938831141362e-09  1.26887120643330e-08 1.25580355749333e-08  -3.31217344911314e-09 -3.82843162264751e-09  3.22986545503001e-08 3.23237660779510e-08
-7.95511422845691e+00 3.50863173896134e-04  -2.04321987493923e+01   -5.42058308856961e+00 -5.42058308856961e+00  1.22524813384078e+01 1.22524813384078e+01  -5.91599385613269e-03 -3.65185650611543e-03  -8.08062169132940e-03 -5.62065052734389e-03  1.06374417869930e-05 1.06763173029797e-05  -1.57538770713457e-05 -1.57915358953767e-05  -3.46421493313236e-09 -3.45430537667012e-09  1.35724421930597e-08 1.34326644844677e-08  -3.54285618378403e-09 -4.09507016423078e-09  3.45481571686566e-08 3.45750176381862e-08
-7.93267134268537e+00 3.58826582716501e-04  -2.04321987493923e+01   -5.42058425370046e+00 -5.42058425370046e+00  1.22524814474039e+01 1.22524814474039e+01  -6.05026702106663e-03 -3.73474134210703e-03  -8.26402423338221e-03 -5.74822004057330e-03  1.11257892843352e-05 1.11664495111813e-05  -1.64771106242176e-05 -1.65164982986720e-05  -3.70548695574503e-09 -3.69488722884848e-09  1.45177214217876e-08 1.43682086219393e-08  -3.78960525817389e-09 -4.38027925726692e-09  3.69543307298351e-08 3.69830619497614e-08
-7.91022845691383e+00 3.66970734016439e-04  -2.04321987493923e+01   -5.42058547247039e+00 -5.42058547247039e+00  1.22524815616102e+01 1.22524815616102e+01  -6.18758774114961e-03 -3.81950738715579e-03  -8.45158937625993e-03 -5.87868493353492e-03  1.16365560027728e-05 1.16790828735581e-05  -1.72335465237565e-05 -1.72747424168692e-05  -3.96356283789616e-09 -3.95222487230249e-09  1.55288364558433e-08 1.53689105454383e-08  -4.05353964250723e-09 -4.68535228259033e-09  3.95280868785824e-08 3.95588191410198e-08
-7.88778557114228e+00 3.75299730039682e-04  -2.04321987493923e+01   -5.42058674733833e+00 -5.42058674733833e+00  1.22524816812612e+01 1.22524816812612e+01  -6.32802518613783e-03 -3.90619733858007e-03  -8.64341159573216e-03 -6.01211092036413e-03  1.21707711704005e-05 1.22152503796098e-05  -1.80247090232920e-05 -1.80677961469191e-05  -4.23961291682575e-09 -4.22748529646520e-09  1.66103725562412e-08 1.64393082940250e-08  -4.33585623969756e-09 -5.01167270087749e-09  4.22810972212573e-08 4.23139698927741e-08
-7.86534268537074e+00 3.83817766137036e-04  -2.04321987493923e+01   -5.42058808087657e+00 -5.42058808087657e+00  1.22524818066024e+01 1.22524818066024e+01  -6.47165009574565e-03 -3.99485486279906e-03  -8.83958751176539e-03 -6.14856520660148e-03  1.27295112653166e-05 1.27760324415189e-05  -1.88521923509684e-05 -1.88972575278557e-05  -4.53488904013994e-09 -4.52191676797142e-09  1.77672343331416e-08 1.75842559670441e-08  -4.63783531309973e-09 -5.36072032640953e-09  4.52258462546913e-08 4.52610084083177e-08
-7.84289979959920e+00 3.92529132879600e-04  -2.04321987493923e+01   -5.42058947577519e+00 -5.42058947577519e+00  1.22524819378906e+01 1.22524819378906e+01  -6.61853481528080e-03 -4.08552461732902e-03  -9.04021593718277e-03 -6.28811652303646e-03  1.33139021847756e-05 1.33625590712306e-05  -1.97176639220642e-05 -1.97647979607946e-05  -4.85073024275214e-09 -4.83685449135967e-09  1.90046679875051e-08 1.88089457367197e-08  -4.96084629228587e-09 -5.73407803778030e-09  4.83756879813636e-08 4.84132990726179e-08
-7.82045691382766e+00 4.01438218219943e-04  -2.04321987493923e+01   -5.42059093484808e+00 -5.42059093484808e+00  1.22524820753946e+01 1.22524820753946e+01  -6.76875333208888e-03 -4.17825227327921e-03  -9.24539792742868e-03 -6.43083516031964e-03  1.39251215139224e-05 1.39760121574780e-05  -2.06228676987723e-05 -2.06721655767433e-05  -5.18856881920482e-09 -5.17372666402380e-09  2.03282851018058e-08 2.01189313938570e-08  -5.30635398317338e-09 -6.13343895598190e-09  5.17449064676310e-08 5.17851370576292e-08
-7.79801402805611e+00 4.10549509702336e-04  -2.04321987493923e+01   -5.42059246103826e+00 -5.42059246103826e+00  1.22524822193955e+01 1.22524822193955e+01  -6.92238131282518e-03 -4.27308453835815e-03  -9.45523683146178e-03 -6.57679300435889e-03  1.45644008986782e-05 1.46176278473400e-05  -2.15696277042123e-05 -2.16211887590142e-05  -5.54993681890890e-09 -5.53406095287243e-09  2.17440880876888e-08 2.15201535334237e-08  -5.67592521066554e-09 -6.56061412241826e-09  5.53487806196309e-08 5.53918131485582e-08
-7.77557114228457e+00 4.19867596723144e-04  -2.04321987493923e+01   -5.42059405742393e+00 -5.42059405742393e+00  1.22524823701876e+01 1.22524823701876e+01  -7.07949614157241e-03 -4.37006918040225e-03  -9.66983834380263e-03 -6.72606357252000e-03  1.52330285275591e-05 1.52886990371301e-05  -2.25598516977512e-05 -2.26137798273303e-05  -5.93647299375567e-09 -5.91949142206689e-09  2.32584974059744e-08 2.30189664942245e-08  -6.07123592392836e-09 -7.01754071166442e-09  5.92036534706021e-08 5.92496830850539e-08
-7.75312825651303e+00 4.29397172842527e-04  -2.04321987493923e+01   -5.42059572722471e+00 -5.42059572722471e+00  1.22524825280786e+01 1.22524825280786e+01  -7.24017695882416e-03 -4.46925505143870e-03  -9.88931055776287e-03 -6.87872205064693e-03  1.59323517274297e-05 1.59905779776361e-05  -2.35955350190392e-05 -2.36519388910503e-05  -6.34993022960720e-09 -6.33176594325349e-09  2.48783806824442e-08 2.46221671748349e-08  -6.49407879652399e-09 -7.50629081621576e-09  6.33270062938265e-08 6.33762417317729e-08
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2.66037074148297e+00 1.43015903087275e+01  -9.08989820029808e-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  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.68281362725451e+00 1.46261880975040e+01  -8.88816683745776e-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  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
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2.77258517034068e+00 1.59999431697153e+01  -8.12502885877521e-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  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.79502805611222e+00 1.63630878313457e+01  -7.94471076185660e-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  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.81747094188377e+00 1.67344746500808e+01  -7.76839444967897e-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  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.83991382765531e+00 1.71142906950446e+01  -7.59599111095422e-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  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.86235671342685e+00 1.75027272811982e+01  -7.42741390537635e-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  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.88479959919840e+00 1.78999800657063e+01  -7.26257791987959e-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  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.90724248496994e+00 1.83062491464900e+01  -7.10140012586733e-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  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.92968537074148e+00 1.87217391630175e+01  -6.94379933739017e-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  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.95212825651303e+00 1.91466593993816e+01  -6.78969617025224e-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  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.97457114228457e+00 1.95812238897169e+01  -6.63901300202499e-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  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.99701402805611e+00 2.00256515260100e+01  -6.49167393294844e-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  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.01945691382766e+00 2.04801661683561e+01  -6.34760474770005e-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  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.04189979959920e+00 2.09449967577184e+01  -6.20673287801223e-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  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.06434268537074e+00 2.14203774312466e+01  -6.06898736611929e-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  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.08678557114228e+00 2.19065476402127e+01  -5.93429882901569e-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  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.10922845691383e+00 2.24037522706237e+01  -5.80259942350757e-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  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.13167134268537e+00 2.29122417665718e+01  -5.67382281203975e-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  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.15411422845691e+00 2.34322722563841e+01  -5.54790412928123e-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  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.17655711422846e+00 2.39641056816355e+01  -5.42477994945224e-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  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.19900000000000e+00 2.45080099290896e+01  -5.30438825437636e-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  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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density.PCC>