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

#
# File Name
#

System.CurrrentDir    ./             # default=./
System.Name           Cr_CA11
Log.print             off            # ON|OFF

System.UseRestartfile  yes           # NO|YES, default=NO
System.Restartfile     Cr_CA11      # default=null

#
# Calculation type
#

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

#
# Atom
#

AtomSpecies             24
max.occupied.N           4
total.electron        24.0
valence.electron      14.0 
<occupied.electrons 
 1   2.0
 2   2.0  6.0
 3   2.0  6.0  4.0
 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  2.35  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=-625.2867310817689 (Hartree)  NormRD=  2.8129360581690
 SCF=   2  Eeigen=-624.5137191282050 (Hartree)  NormRD=  2.6438656518040
 SCF=   3  Eeigen=-624.4807236042768 (Hartree)  NormRD=  2.5539134117155
 SCF=   4  Eeigen=-623.7748824686226 (Hartree)  NormRD=  0.5977264856407
 SCF=   5  Eeigen=-623.0914132383517 (Hartree)  NormRD=  0.0821389446639
 SCF=   6  Eeigen=-622.9249793226016 (Hartree)  NormRD=  0.0048221064772
 SCF=   7  Eeigen=-622.9411613114266 (Hartree)  NormRD=  0.0001951844782
 SCF=   8  Eeigen=-622.9010627528073 (Hartree)  NormRD=  0.0000083767936
 SCF=   9  Eeigen=-622.9476553781947 (Hartree)  NormRD=  0.0000033907171
 SCF=  10  Eeigen=-622.8920768974629 (Hartree)  NormRD=  0.0000043138716
 SCF=  11  Eeigen=-622.9212543027462 (Hartree)  NormRD=  0.0000000082833
 SCF=  12  Eeigen=-622.9222644360808 (Hartree)  NormRD=  0.0000000014768
 SCF=  13  Eeigen=-622.9223057760146 (Hartree)  NormRD=  0.0000000004753
 SCF=  14  Eeigen=-622.9222956736804 (Hartree)  NormRD=  0.0000000000612
 SCF=  15  Eeigen=-622.9222994893776 (Hartree)  NormRD=  0.0000000000297
 SCF=  16  Eeigen=-622.9222995340440 (Hartree)  NormRD=  0.0000000000286
 SCF=  17  Eeigen=-622.9222995363587 (Hartree)  NormRD=  0.0000000000285
 SCF=  18  Eeigen=-622.9222995386659 (Hartree)  NormRD=  0.0000000000285
 SCF=  19  Eeigen=-622.9222995409689 (Hartree)  NormRD=  0.0000000000284
 SCF=  20  Eeigen=-622.9222995432655 (Hartree)  NormRD=  0.0000000000283
 SCF=  21  Eeigen=-622.9222995455571 (Hartree)  NormRD=  0.0000000000283
 SCF=  22  Eeigen=-622.9222995478419 (Hartree)  NormRD=  0.0000000000282
 SCF=  23  Eeigen=-622.9222995501187 (Hartree)  NormRD=  0.0000000000282
 SCF=  24  Eeigen=-622.9222995523937 (Hartree)  NormRD=  0.0000000000281
 SCF=  25  Eeigen=-622.9222995546610 (Hartree)  NormRD=  0.0000000000281
 SCF=  26  Eeigen=-622.9222995569220 (Hartree)  NormRD=  0.0000000000280
 SCF=  27  Eeigen=-622.9222995591779 (Hartree)  NormRD=  0.0000000000279
 SCF=  28  Eeigen=-622.9222995614282 (Hartree)  NormRD=  0.0000000000279
 SCF=  29  Eeigen=-622.9222995636715 (Hartree)  NormRD=  0.0000000000278
 SCF=  30  Eeigen=-622.9222995659100 (Hartree)  NormRD=  0.0000000000278
 SCF=  31  Eeigen=-622.9222995681424 (Hartree)  NormRD=  0.0000000000277
 SCF=  32  Eeigen=-622.9222995703707 (Hartree)  NormRD=  0.0000000000277
 SCF=  33  Eeigen=-622.9222995725925 (Hartree)  NormRD=  0.0000000000276
 SCF=  34  Eeigen=-622.9222995748090 (Hartree)  NormRD=  0.0000000000276
 SCF=  35  Eeigen=-622.9222995770203 (Hartree)  NormRD=  0.0000000000275
 SCF=  36  Eeigen=-622.9222995792240 (Hartree)  NormRD=  0.0000000000274
 SCF=  37  Eeigen=-622.9222995814232 (Hartree)  NormRD=  0.0000000000274
 SCF=  38  Eeigen=-622.9222995836166 (Hartree)  NormRD=  0.0000000000273
 SCF=  39  Eeigen=-622.9222995858033 (Hartree)  NormRD=  0.0000000000273
 SCF=  40  Eeigen=-622.9222995879887 (Hartree)  NormRD=  0.0000000000272
 SCF=  41  Eeigen=-622.9222995901636 (Hartree)  NormRD=  0.0000000000272
 SCF=  42  Eeigen=-622.9222995923365 (Hartree)  NormRD=  0.0000000000271
 SCF=  43  Eeigen=-622.9222995945017 (Hartree)  NormRD=  0.0000000000271
 SCF=  44  Eeigen=-622.9222995966639 (Hartree)  NormRD=  0.0000000000270
 SCF=  45  Eeigen=-622.9222995988184 (Hartree)  NormRD=  0.0000000000270
 SCF=  46  Eeigen=-622.9222996009688 (Hartree)  NormRD=  0.0000000000269
 SCF=  47  Eeigen=-622.9222996031142 (Hartree)  NormRD=  0.0000000000268
 SCF=  48  Eeigen=-622.9222996052521 (Hartree)  NormRD=  0.0000000000268
 SCF=  49  Eeigen=-622.9222996073847 (Hartree)  NormRD=  0.0000000000267
 SCF=  50  Eeigen=-622.9222996095135 (Hartree)  NormRD=  0.0000000000267
 SCF=  51  Eeigen=-622.9222996116363 (Hartree)  NormRD=  0.0000000000266
 SCF=  52  Eeigen=-622.9222996137532 (Hartree)  NormRD=  0.0000000000266
 SCF=  53  Eeigen=-622.9222996158652 (Hartree)  NormRD=  0.0000000000265
 SCF=  54  Eeigen=-622.9222996179741 (Hartree)  NormRD=  0.0000000000265
 SCF=  55  Eeigen=-622.9222996200747 (Hartree)  NormRD=  0.0000000000264
 SCF=  56  Eeigen=-622.9222996221708 (Hartree)  NormRD=  0.0000000000264
 SCF=  57  Eeigen=-622.9222996242634 (Hartree)  NormRD=  0.0000000000263
 SCF=  58  Eeigen=-622.9222996263460 (Hartree)  NormRD=  0.0000000000263
 SCF=  59  Eeigen=-622.9222996284269 (Hartree)  NormRD=  0.0000000000262
 SCF=  60  Eeigen=-622.9222996305014 (Hartree)  NormRD=  0.0000000000000

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

                         j=l+1/2                j=l-1/2
 n=  1  l=  0      -215.5930924229110     -215.5930924229110
 n=  2  l=  0       -24.5954605672986      -24.5954605672986
 n=  2  l=  1       -20.6253175111619      -20.9418327948863
 n=  3  l=  0        -2.8455197595016       -2.8455197595016
 n=  3  l=  1        -1.7919282177891       -1.8302606524934
 n=  3  l=  2        -0.2265681175706       -0.2298689992767
 n=  4  l=  0        -0.1866311841963       -0.1866311841963


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

 Eeigen =     -622.9222996305014
 Ekin   =     1060.9125395248668
 EHart  =      440.8205895538572
 Exc    =      -46.4088497375119
 Eec    =    -2504.0537195758207
 Etot   = Ekin + EHart + Exc + Eec
 Etot   =    -1048.7294402346085


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

j.dependent.pseudo.potentials   on

<VPS> L=0, dif of log deris for all electrons = 12393.0796666443 12393.0796666443
<VPS> L=0, dif of log deris for semi local    = 28009.0643502174 28009.0643502174
<VPS> L=1, dif of log deris for all electrons =    2.1214107992  143.4085027891
<VPS> L=1, dif of log deris for semi local    =   76.0652766499 1695.4789538752
<VPS> L=2, dif of log deris for all electrons =   11.5791621796   37.0039407031
<VPS> L=2, dif of log deris for semi local    = 1643.2696817490 2507.4803025032
<VPS> L=3, dif of log deris for all electrons =    0.2151047967    1.1383328065
<VPS> L=3, dif of log deris for semi local    =    5.0561330740    5.5428976641

<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  -2.20039063454994e+01   -5.27334411696313e+00 -5.27334411696313e+00  1.35447223014516e+01 1.35447223014516e+01  1.32469356191922e-03 1.71585562109763e-03  1.48206683202546e-02 4.20876085588169e-02  1.08747920579503e-05 1.09184765233908e-05  -1.60183536463151e-05 -1.60581401823384e-05  -3.22414855368250e-09 -3.21569017564846e-09  1.31811145674712e-08 1.30264855980500e-08  -5.58681618279462e-10 -1.03751864498541e-09  3.16637745268765e-08 3.16700639863182e-08
-7.97755711422846e+00 3.43076496352363e-04  -2.20039063454994e+01   -5.27334507420768e+00 -5.27334507420768e+00  1.35447223846163e+01 1.35447223846163e+01  1.35475953876113e-03 1.75479964394442e-03  1.51570453032044e-02 4.30428491624821e-02  1.13740359323475e-05 1.14197258797083e-05  -1.67537289612510e-05 -1.67953420275721e-05  -3.44870068684337e-09 -3.43965320852515e-09  1.40991390361710e-08 1.39337406302460e-08  -5.97592049589232e-10 -1.10977861499144e-09  3.38690597172198e-08 3.38757872188063e-08
-7.95511422845691e+00 3.50863173896134e-04  -2.20039063454994e+01   -5.27334607557534e+00 -5.27334607557534e+00  1.35447224719939e+01 1.35447224719939e+01  1.38550790451751e-03 1.79462755660969e-03  1.55010567573154e-02 4.40197700829491e-02  1.18961992637764e-05 1.19439867613771e-05  -1.75228640381091e-05 -1.75663874872937e-05  -3.68889219060997e-09 -3.67921458297111e-09  1.50811011010697e-08 1.49041832003415e-08  -6.39212467644058e-10 -1.18707126492561e-09  3.62279362432183e-08 3.62351322953091e-08
-7.93267134268537e+00 3.58826582716501e-04  -2.20039063454994e+01   -5.27334712308764e+00 -5.27334712308764e+00  1.35447225637688e+01 1.35447225637688e+01  1.41695414661039e-03 1.83535941985269e-03  1.58528759488421e-02 4.50188633610549e-02  1.24423342454376e-05 1.24923155882952e-05  -1.83273087208719e-05 -1.83728302549762e-05  -3.94581229917667e-09 -3.93546067563417e-09  1.61314538189216e-08 1.59422141258409e-08  -6.83731613951797e-10 -1.26974710470361e-09  3.87511012645273e-08 3.87587985003036e-08
-7.91022845691383e+00 3.66970734016439e-04  -2.20039063454994e+01   -5.27334821885939e+00 -5.27334821885939e+00  1.35447226601346e+01 1.35447226601346e+01  1.44911410393908e-03 1.87701574970619e-03  1.62126800758704e-02 4.60406322032744e-02  1.30135413748335e-05 1.30658172787022e-05  -1.91686840032205e-05 -1.92162953505100e-05  -4.22062610853194e-09 -4.20955352593698e-09  1.72549603880300e-08 1.70525407274962e-08  -7.31351375191036e-10 -1.35818105607543e-09  4.14499969641984e-08 4.14582302896507e-08
-7.88778557114228e+00 3.75299730039682e-04  -2.20039063454994e+01   -5.27334936510193e+00 -5.27334936510193e+00  1.35447227612935e+01 1.35447227612935e+01  1.48200397485509e-03 1.91961752780615e-03  1.65806503575049e-02 4.70855912350005e-02  1.36109716713238e-05 1.36656474756427e-05  -2.00486852947965e-05 -2.00984823945787e-05  -4.51457985999458e-09 -4.50273610575216e-09  1.84567157486238e-08 1.82401981762879e-08  -7.82287698719870e-10 -1.45277415282135e-09  4.43368624371401e-08 4.43456691893636e-08
-7.86534268537074e+00 3.83817766137036e-04  -2.20039063454994e+01   -5.27335056412883e+00 -5.27335056412883e+00  1.35447228674574e+01 1.35447228674574e+01  1.51564032531778e-03 1.96318621195662e-03  1.69569721250794e-02 4.81542667595621e-02  1.42358289954828e-05 1.42930148756412e-05  -2.09690858374013e-05 -2.10211690333428e-05  -4.82900659173135e-09 -4.81633795609351e-09  1.97421696876300e-08 1.95105723271532e-08  -8.36771571845996e-10 -1.55395535935991e-09  4.74247891924345e-08 4.74342093089495e-08
-7.84289979959920e+00 3.92529132879600e-04  -2.20039063454994e+01   -5.27335181835965e+00 -5.27335181835965e+00  1.35447229788481e+01 1.35447229788481e+01  1.55004009723522e-03 2.00774374693441e-03  1.73418349154320e-02 4.92471970231165e-02  1.48893724749337e-05 1.49491836642798e-05  -2.19317402780188e-05 -2.19862145203366e-05  -5.16533218388468e-09 -5.15178121638461e-09  2.11171515526180e-08 2.08694241430081e-08  -8.95050069298042e-10 -1.66218351601439e-09  5.07277805211995e-08 5.07378567210639e-08
-7.82045691382766e+00 4.01438218219943e-04  -2.20039063454994e+01   -5.27335313032493e+00 -5.27335313032493e+00  1.35447230956976e+01 1.35447230956976e+01  1.58522061699370e-03 2.05331257553777e-03  1.77354325662935e-02 5.03649324855346e-02  1.55729190415465e-05 1.56354760635892e-05  -2.29385884058558e-05 -2.29955634627905e-05  -5.52508182472394e-09 -5.51058707364654e-09  2.25878966869888e-08 2.23229158198236e-08  -9.57387473648434e-10 -1.77794941975908e-09  5.42608149992203e-08 5.42715929767561e-08
-7.79801402805611e+00 4.10549509702336e-04  -2.20039063454994e+01   -5.27335450267181e+00 -5.27335450267181e+00  1.35447232182489e+01 1.35447232182489e+01  1.62119960418127e-03 2.09991564988712e-03  1.81379633138377e-02 5.15080360974275e-02  1.62878460851128e-05 1.63532749963827e-05  -2.39916590609324e-05 -2.40512497399291e-05  -5.90988692714339e-09 -5.89438266085076e-09  2.41610747062885e-08 2.38776387312264e-08  -1.02406647376812e-09 -1.90177804988090e-09  5.80399144123179e-08 5.80514430443321e-08
-7.77557114228457e+00 4.19867596723144e-04  -2.20039063454994e+01   -5.27335593816890e+00 -5.27335593816890e+00  1.35447233467564e+01 1.35447233467564e+01  1.65799518050830e-03 2.14757644298045e-03  1.85496298924396e-02 5.26770835834458e-02  1.70355942288437e-05 1.71040268729037e-05  -2.50930742220944e-05 -2.51554006011369e-05  -6.32149252687177e-09 -6.30490843571988e-09  2.58438197438728e-08 2.55406433193491e-08  -1.09538944674799e-09 -2.03423094864925e-09  6.20822164124879e-08 6.20945479799232e-08
-7.75312825651303e+00 4.29397172842527e-04  -2.20039063454994e+01   -5.27335743971192e+00 -5.27335743971192e+00  1.35447234814860e+01 1.35447234814860e+01  1.69562587893104e-03 2.19631896051186e-03  1.89706396366932e-02 5.38726637319966e-02  1.78176702322845e-05 1.78892445054013e-05  -2.62450532826841e-05 -2.63102409522494e-05  -6.76176519594310e-09 -6.74402607343795e-09  2.76437628030825e-08 2.73194710674786e-08  -1.17167982909932e-09 -2.17590876778867e-09  6.64060522342809e-08 6.64192426593058e-08
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2.77258517034068e+00 1.59999431697153e+01  -8.75003107868099e-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  -8.55584235892249e-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  -8.36596325350043e-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  -8.18029811948916e-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  -7.99875343655915e-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  -7.82123775987033e-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  -7.64766167401097e-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  -7.47793774795864e-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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2.97457114228457e+00 1.95812238897169e+01  -7.14970630987307e-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  -6.99103346625216e-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  -6.83588203598467e-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  -6.68417386862856e-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  -6.53583254812846e-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  -6.39078335432459e-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  -6.24895322531585e-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  -6.11027072065819e-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  -5.97466598537979e-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  -5.84207071479472e-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  -5.71241812009762e-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>