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

 System.CurrrentDirectory    ./
 System.Name                 Th_CA
 Log.print                   OFF

 <<< Calculation type >>>
 eq.type                     dirac2
 calc.type                   VPS
 xc.type                     GGA

 <<< Atom >>>
 AtomSpecies                 90
 max.ocupied.N               7
 total.electron              90.0000
 valence.electron            22.0000

 <ocupied.electrons
 1  2.0000 
 2  2.0000  6.0000 
 3  2.0000  6.0000  10.0000 
 4  2.0000  6.0000  10.0000  14.0000 
 5  2.0000  6.0000  10.0000  0.0000  0.0000 
 6  2.0000  6.0000  2.0000  0.0000  0.0000  0.0000 
 7  2.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000 
 ocupied.electrons>

 <<< parameters for solving 1D-differential equations >>>
 grid.xmin                   -7.500
 grid.xmax                    3.800
 grid.num                    14000
 grid.num.output             2000

 <<< SCF >>>
 scf.maxIter                 65
 scf.Mixing.Type             Simple
 scf.Init.Mixing.Weight      0.10000
 scf.Min.Mixing.Weight       0.00100
 scf.Max.Mixing.Weight       0.30000
 scf.Mixing.History          7
 scf.Mixing.StartPulay       4
 scf.criterion               0.00000000000010

 <<< Pseudo potential >>>
 vps.type                    TM
 number.vps                  6
 <pseudo.NandL
  0    5   2   1.5000
  1    5   3   1.5000
  2    6   0   1.8000
  3    6   1   1.8000
  4    6   2   1.8000
  5    7   0   1.8000
 pseudo.NandL>
 Blochl.projector.num        2
 local.type                  Polynomial
 local.part.vps              6
 local.cutoff                1.50000
 local.origin.ratio          2.70000
 log.deri.RadF.calc          ON
 log.deri.MinE               -3.80000
 log.deri.MaxE               2.30000
 log.deri.num                50
 <log.deri.R
  0   2.8000  2.8000
  1   2.8000  2.8000
  2   2.8000  2.8000
  3   2.8000  2.8000
 log.deri.R>
 ghost.check                 OFF

charge.states.num            1
<charge.states
   0.000
charge.states>

 <<< Core electron density for partial core correction >>>
 charge.pcc.calc             ON
 pcc.ratio                   0.01000
 pcc.ratio.origin            6.00000

 <<< Pseudo atomic orbitals >>>
 maxL.pao                    4
 num.pao                     5
 radial.cutoff.pao           11.00000
 height.of.wall              20000.00000
 rising.edge                 0.20000
 search.LowerE               -3.00000
 search.UpperE               7.00000
 num.of.partition            4000
 matching.point.ratio        0.60000

***************************************************
    SCF history in all electrons calculations      
***************************************************


***************************************************
 Eigenvalues (Hartree) in all electrons calculations
***************************************************

                         j=l+1/2                j=l-1/2
 n=  1  l=  0     -3916.7198195108440    -3916.7198195108440
 n=  2  l=  0      -727.0510426665119     -727.0510426665119
 n=  2  l=  1      -592.3219165862336     -716.9719803075482
 n=  3  l=  0      -182.2260591963353     -182.2260591963353
 n=  3  l=  1      -145.6440831742818     -174.1791920666372
 n=  3  l=  2      -119.7737692613632     -125.6678090920099
 n=  4  l=  0       -45.5965008548384      -45.5965008548384
 n=  4  l=  1       -33.9500832584892      -41.3125587825024
 n=  4  l=  2       -23.7277135397439      -25.0996126718283
 n=  4  l=  3       -11.7068048226646      -12.0538556196947
 n=  5  l=  0        -9.9804564634004       -9.9804564634004
 n=  5  l=  1        -6.5087367703020       -8.2040384714787
 n=  5  l=  2        -3.1961055868642       -3.4468450700998
 n=  6  l=  0        -1.6065776615964       -1.6065776615964
 n=  6  l=  1        -0.7846452311975       -1.0706823893973
 n=  6  l=  2        -0.1126884153420       -0.1316682178690
 n=  7  l=  0        -0.1621578138446       -0.1621578138446


***************************************************
  Energies (Hartree) in all electrons calculations 
***************************************************

 Eeigen =   -16600.6572352882140
 Ekin   =    31174.0199002477748
 EHart  =     9980.4775835485198
 Exc    =     -447.5791741600322
 Eec    =   -67141.2041574184113
 Etot   = Ekin + EHart + Exc + Eec
 Etot   =   -26434.2858477821501


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

j.dependent.pseudo.potentials   on

<VPS> L=0, dif of log deris for all electrons = 8011.5848768328 8011.5848768328
<VPS> L=0, dif of log deris for semi local    =   48.7508140510   48.7508140510
<VPS> L=1, dif of log deris for all electrons = 29056.1754971230   76.7212352875
<VPS> L=1, dif of log deris for semi local    = 26970.6904117841   16.5619177977
<VPS> L=2, dif of log deris for all electrons =   73.2559326836 17896.8751918389
<VPS> L=2, dif of log deris for semi local    =    0.5706454520    3.2711199789
<VPS> L=3, dif of log deris for all electrons =    0.5783769777   13.2653959910
<VPS> L=3, dif of log deris for semi local    =    0.2561982215    0.4078342548

<project.energies
 8
 0    6.06923881931514e-01   6.06923881931514e-01
 0    1.42329976758123e+00   1.42329976758123e+00
 1    1.19064811175243e+00   8.99033788180249e-01
 1    2.04272790831918e+00   1.82445452431244e+00
 2    7.39478407265310e-01   8.35489590479083e-01
 2    1.70061051341836e+00   1.87824840585407e+00
 3    1.60948445955384e+00   1.69443296980195e+00
 3    6.61867096074331e+00   7.60010482183451e+00
project.energies>

<Pseudo.Potentials
-7.50000000000000e+00 5.53084370147834e-04  -3.95898348299329e+01   6.19249212364539e+00 6.19249212364539e+00  8.99959916365926e+00 8.99959916365926e+00  3.95686670958639e-03 5.30577029452024e-03  8.58312996156896e-03 9.80845113500559e-03  1.29271334620276e-05 1.08497272823641e-05  1.90220205240124e-05 1.66620076740342e-05  2.35412113819414e-09 1.77422217301255e-09  1.75474811528726e-09 4.27017319332040e-10
-7.49434767383692e+00 5.56219435262105e-04  -3.95898348299329e+01   6.19249215029681e+00 6.19249215029681e+00  8.99959919166838e+00 8.99959919166838e+00  3.97929554014659e-03 5.33584515904736e-03  8.63178197444626e-03 9.86404867548024e-03  1.30740992041855e-05 1.09730754317845e-05  1.92382775552453e-05 1.68514341810151e-05  2.39438024212759e-09 1.80456410054938e-09  1.78475694039979e-09 4.34319906351285e-10
-7.48869534767384e+00 5.59372270962206e-04  -3.95898348299329e+01   6.19249217634231e+00 6.19249217634231e+00  8.99959921636546e+00 8.99959921636546e+00  4.00185150412646e-03 5.36609049707462e-03  8.68070975948710e-03 9.91996135710196e-03  1.32227357555429e-05 1.10978258858435e-05  1.94569931128374e-05 1.70430141742859e-05  2.43532783162276e-09 1.83542491416731e-09  1.81527893868369e-09 4.41747360723110e-10
-7.48304302151076e+00 5.62542977977695e-04  -3.95898348299329e+01   6.19249220176984e+00 6.19249220176984e+00  8.99959923769225e+00 8.99959923769225e+00  4.02453532214263e-03 5.39650727487929e-03  8.72991487975985e-03 9.97619096607914e-03  1.33730621106901e-05 1.12239945865145e-05  1.96781951452123e-05 1.72367721339682e-05  2.47697568047550e-09 1.86681348723084e-09  1.84632288500483e-09 4.49301816981557e-10
-7.47739069534767e+00 5.65731657609095e-04  -3.95898348299329e+01   6.19249222656720e+00 6.19249222656720e+00  8.99959925558975e+00 8.99959925558975e+00  4.04734771889604e-03 5.42709646421532e-03  8.77939890719074e-03 1.00327392987424e-02  1.35250974801487e-05 1.13515976569958e-05  1.99019119184734e-05 1.74327328184219e-05  2.51933576381751e-09 1.89873884483779e-09  1.87789770424748e-09 4.56985446130570e-10
-7.47173836918459e+00 5.68938411731139e-04  -3.95898348299329e+01   6.19249225041739e+00 6.19249225041739e+00  8.99959926878139e+00 8.99959926878139e+00  4.07028942297857e-03 5.45785904205661e-03  8.82916342144513e-03 1.00896081602296e-02  1.36788612892088e-05 1.14806513997434e-05  2.01281720038314e-05 1.76309212481941e-05  2.56242025920980e-09 1.93121016394567e-09  1.91001246631200e-09 4.64800450589326e-10
-7.46608604302151e+00 5.72163342796015e-04  -3.95898348299329e+01   6.19249227390472e+00 6.19249227390472e+00  8.99959927959060e+00 8.99959927959060e+00  4.09336116775226e-03 5.48879599176590e-03  8.87921001459908e-03 1.01467993699696e-02  1.38343731946907e-05 1.16111723144538e-05  2.03570043451335e-05 1.78313627850558e-05  2.60624155940358e-09 1.96423678573813e-09  1.94267641854550e-09 4.72749087202187e-10
-7.46043371685843e+00 5.75406553836648e-04  -3.95898348299329e+01   6.19249229771080e+00 6.19249229771080e+00  8.99959929072932e+00 8.99959929072932e+00  4.11656369081298e-03 5.51990830238212e-03  8.92954028816809e-03 1.02043147581916e-02  1.39916530783005e-05 1.17431770899768e-05  2.05884382216014e-05 1.80340830866109e-05  2.65081227008510e-09 1.99782821219797e-09  1.97589896966011e-09 4.80833653825860e-10
-7.45478139069535e+00 5.78668148469984e-04  -3.95898348299329e+01   6.19249232183954e+00 6.19249232183954e+00  8.99959930220244e+00 8.99959930220244e+00  4.13989773345585e-03 5.55119696791023e-03  8.98015585014497e-03 1.02621561624457e-02  1.41507210397254e-05 1.18766825959315e-05  2.08225032093193e-05 1.82391080594121e-05  2.69614520728967e-09 2.03199410231457e-09  2.00968967243452e-09 4.89056474981070e-10
-7.44912906453227e+00 5.81948230900308e-04  -3.95898348299329e+01   6.19249234629490e+00 6.19249234629490e+00  8.99959931401491e+00 8.99959931401491e+00  4.16336404117793e-03 5.58266298798954e-03  9.03105831763717e-03 1.03203254306977e-02  1.43115974071601e-05 1.20117058937223e-05  2.10592292206118e-05 1.84464639045333e-05  2.74225340622549e-09 2.06674428025982e-09  2.04405824301188e-09 4.97419914939308e-10
-7.44347673836918e+00 5.85246905922565e-04  -3.95898348299329e+01   6.19249237108089e+00 6.19249237108089e+00  8.99959932617177e+00 8.99959932617177e+00  4.18696336370201e-03 5.61430736792569e-03  9.08224931691843e-03 1.03788244213882e-02  1.44743027399042e-05 1.21482642387194e-05  2.12986465078654e-05 1.86561771209182e-05  2.78915012502174e-09 2.10208873821297e-09  2.07901456369317e-09 5.05926378402583e-10
-7.43782441220610e+00 5.88564278925717e-04  -3.95898348299329e+01   6.19249239620155e+00 6.19249239620155e+00  8.99959933867809e+00 8.99959933867809e+00  4.21069645500057e-03 5.64613111872275e-03  9.13373048348077e-03 1.04376550034922e-02  1.46388578309901e-05 1.22863750824641e-05  2.15407856673958e-05 1.88682745087669e-05  2.83684884854092e-09 2.13803763923376e-09  2.11456868577889e-09 5.14578311194664e-10
-7.43217208604302e+00 5.91900455896101e-04  -3.95898348299329e+01   6.19249242166100e+00 6.19249242166100e+00  8.99959935153904e+00 8.99959935153904e+00  4.23456407331988e-03 5.67813525711554e-03  9.18550346208671e-03 1.04968190565787e-02  1.48052837098397e-05 1.24260560748985e-05  2.17856776433570e-05 1.90827831729602e-05  2.88536329225625e-09 2.17460132018478e-09  2.15073083245905e-09 5.23378200964505e-10
-7.42651975987994e+00 5.95255543420822e-04  -3.95898348299329e+01   6.19249244746337e+00 6.19249244746337e+00  8.99959936475984e+00 8.99959936475984e+00  4.25856698120420e-03 5.71032080560206e-03  9.23756990682180e-03 1.05563184708707e-02  1.49736016449522e-05 1.25673250666215e-05  2.20333537316959e-05 1.92997305265235e-05  2.93470740619547e-09 2.21179029470363e-09  2.18751140175280e-09 5.32328577901265e-10
-7.42086743371686e+00 5.98629648691156e-04  -3.95898348299329e+01   6.19249247361287e+00 6.19249247361287e+00  8.99959937834577e+00 8.99959937834577e+00  4.28270594552017e-03 5.74268879247625e-03  9.28993148114754e-03 1.06161551473056e-02  1.51438331466219e-05 1.27102001111697e-05  2.22838455841516e-05 1.95191442941299e-05  2.98489537895199e-09 2.24961525622609e-09  2.22492096949778e-09 5.41432015461754e-10
-7.41521510755378e+00 6.02022879505975e-04  -3.95898348299329e+01   6.19249250011374e+00 6.19249250011374e+00  8.99959939230218e+00 8.99959939230218e+00  4.30698173748131e-03 5.77524025186076e-03  9.34258985795446e-03 1.06763309975960e-02  1.53159999696870e-05 1.28546994673248e-05  2.25371852123005e-05 1.97410525156437e-05  3.03594164176479e-09 2.28808708106093e-09  2.26297029239172e-09 5.50691131110566e-10
-7.40956278139070e+00 6.05435344275189e-04  -3.95898348299329e+01   6.19249252697027e+00 6.19249252697027e+00  8.99959940663449e+00 8.99959940663449e+00  4.33139513267263e-03 5.80797622374005e-03  9.39554671961556e-03 1.07368479442906e-02  1.54901241163098e-05 1.30008416014464e-05  2.27934049916466e-05 1.99654835497026e-05  3.08786087266790e-09 2.32721683151714e-09  2.30167031108448e-09 5.60108587072154e-10
-7.40391045522761e+00 6.08867152023213e-04  -3.95898348299329e+01   6.19249255418683e+00 6.19249255418683e+00  8.99959942134820e+00 8.99959942134820e+00  4.35594691107544e-03 5.84089775399354e-03  9.44880375804013e-03 1.07977079208361e-02  1.56662278387885e-05 1.31486451898327e-05  2.30525376657597e-05 2.01924660773428e-05  3.14066800071103e-09 2.36701575908501e-09  2.34103215332470e-09 5.69687091096822e-10
-7.39825812906453e+00 6.12318412392447e-04  -3.95898348299329e+01   6.19249258176780e+00 6.19249258176780e+00  8.99959943644885e+00 8.99959943644885e+00  4.38063785709225e-03 5.87400589442914e-03  9.50236267472775e-03 1.08589128716383e-02  1.58443336424010e-05 1.32981291211064e-05  2.33146163504589e-05 2.04220291056634e-05  3.19437821025223e-09 2.40749530767120e-09  2.38106713715877e-09 5.79429397238744e-10
-7.39260580290145e+00 6.15789235646781e-04  -3.95898348299329e+01   6.19249260971764e+00 6.19249260971764e+00  8.99959945194208e+00 8.99959945194208e+00  4.40546875957185e-03 5.90730170281673e-03  9.55622518082264e-03 1.09204647521246e-02  1.60244642882805e-05 1.34493124986290e-05  2.35796745380446e-05 2.06542019715332e-05  3.24900694532401e-09 2.44866711688941e-09  2.42178677418524e-09 5.89338306647985e-10
-7.38695347673837e+00 6.19279732675118e-04  -3.95898348299329e+01   6.19249263804085e+00 6.19249263804085e+00  8.99959946783359e+00 8.99959946783359e+00  4.43044041183450e-03 5.94078624292206e-03  9.61039299716840e-03 1.09823655288067e-02  1.62066427963247e-05 1.36022146429421e-05  2.38477461015794e-05 2.08890143453406e-05  3.30456991407420e-09 2.49054302540722e-09  2.46320277286511e-09 5.99416668375874e-10
-7.38130115057529e+00 6.22790014994913e-04  -3.95898348299329e+01   6.19249266674198e+00 6.19249266674198e+00  8.99959948412915e+00 8.99959948412915e+00  4.45555361169728e-03 5.97446058454067e-03  9.66486785436289e-03 1.10446171793428e-02  1.63908924481372e-05 1.37568550942358e-05  2.41188652992155e-05 2.11264962347838e-05  3.36108309328259e-09 2.53313507435017e-09  2.50532704188788e-09 6.09667380194021e-10
-7.37564882441221e+00 6.26320194755743e-04  -3.95898348299329e+01   6.19249269582565e+00 6.19249269582565e+00  8.99959950083461e+00 8.99959950083461e+00  4.48080916149958e-03 6.00832580353210e-03  9.71965149281362e-03 1.11072216926014e-02  1.65772367900033e-05 1.39132536148468e-05  2.43930667785741e-05 2.13666779887068e-05  3.41856273295503e-09 2.57645551076407e-09  2.54817169359611e-09 6.20093389427497e-10
-7.36999649824912e+00 6.29870384742884e-04  -3.95898348299329e+01   6.19249272529652e+00 6.19249272529652e+00  8.99959951795586e+00 8.99959951795586e+00  4.50620786812874e-03 6.04238298185426e-03  9.77474566279327e-03 1.11701810687245e-02  1.67656996358981e-05 1.40714301917832e-05  2.46703855811713e-05 2.16095903009768e-05  3.47702536099588e-09 2.62051679113650e-09  2.59174904746787e-09 6.30697693802162e-10
-7.36434417208604e+00 6.33440698380914e-04  -3.95898348299329e+01   6.19249275515931e+00 6.19249275515931e+00  8.99959953549893e+00 8.99959953549893e+00  4.53175054304580e-03 6.07663320759797e-03  9.83015212449568e-03 1.12334973191916e-02  1.69563050705308e-05 1.42314050392786e-05  2.49508571468977e-05 2.18552642144071e-05  3.53648778796045e-09 2.66533158497859e-09  2.63607163365892e-09 6.41483342306692e-10
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3.73117208604302e+00 4.17279883052637e+01  -5.27224074165998e-01   1.17628549165949e-35 1.17628549165949e-35  -1.27934441398880e-35 -1.27934441398880e-35  1.48684225378281e-26 3.67958727901150e-30  -1.57695327196148e-26 -3.94585290942938e-30  1.35683101128756e-48 3.09578212478886e-50  -2.07616926475783e-48 -5.25624329713041e-50  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.73682441220610e+00 4.19645163423688e+01  -5.24252437978062e-01   7.76453936757111e-36 7.76453936757111e-36  -8.44482155336593e-36 -8.44482155336593e-36  1.10630867332280e-26 2.61242281891887e-30  -1.17335737985564e-26 -2.80146568170788e-30  7.64793841470260e-49 1.70931429889794e-50  -1.17025788774253e-48 -2.90219942930702e-50  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
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3.74812906453227e+00 4.24416021736198e+01  -5.18359319025435e-01   3.36067522690001e-36 3.36067522690001e-36  -3.65511808814993e-36 -3.65511808814993e-36  6.09588511281863e-27 1.30960993969287e-30  -6.46533285018538e-27 -1.40437765146893e-30  2.40777528962647e-49 5.16203401927042e-51  -3.68428774640377e-49 -8.76449093394607e-51  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.75378139069535e+00 4.26821752101219e+01  -5.15437647982219e-01   2.20355663488980e-36 2.20355663488980e-36  -2.39661971849276e-36 -2.39661971849276e-36  4.51417547122322e-27 9.24671713708118e-31  -4.78776264977740e-27 -9.91584144153840e-31  1.34479240545667e-49 2.82328143063846e-51  -2.05775199569160e-49 -4.79358305922380e-51  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.75943371685843e+00 4.29241118941521e+01  -5.12532444592557e-01   1.44159474222622e-36 1.44159474222622e-36  -1.56789921919339e-36 -1.56789921919339e-36  3.33751197653598e-27 6.51665996781707e-31  -3.53978650489578e-27 -6.98822879566203e-31  7.48780269363718e-50 1.53921962979531e-51  -1.14575660590974e-49 -2.61340626851549e-51  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.76508604302151e+00 4.31674199553155e+01  -5.09643616038467e-01   9.40975380541290e-37 9.40975380541290e-37  -1.02341848678708e-36 -1.02341848678708e-36  2.46357822050282e-27 4.58405864681021e-31  -2.61288714760565e-27 -4.91577813408048e-31  4.15629609869551e-50 8.36475065560441e-52  -6.35981745513280e-50 -1.42023294701866e-51  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.77073836918459e+00 4.34121071670312e+01  -5.06771070025122e-01   6.12807619002152e-37 6.12807619002152e-37  -6.66498529592779e-37 -6.66498529592779e-37  1.81553874915187e-27 3.21853824060729e-31  -1.92557251827672e-27 -3.45144402832931e-31  2.29987682456404e-50 4.53110608717825e-52  -3.51919182096926e-50 -7.69327153756182e-52  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.77639069534767e+00 4.36581813467807e+01  -5.03914714777907e-01   3.98176349445139e-37 3.98176349445139e-37  -4.33062463687904e-37 -4.33062463687904e-37  1.33578664163571e-27 2.25551904220453e-31  -1.41674442444923e-27 -2.41873735647584e-31  1.26864974727142e-50 2.44651056357516e-52  -1.94124473452930e-50 -4.15388215902804e-52  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.78204302151075e+00 4.39056503563574e+01  -5.01074459039481e-01   2.58122849971499e-37 2.58122849971499e-37  -2.80738241526270e-37 -2.80738241526270e-37  9.81201777111823e-28 1.57764701728396e-31  -1.04066944020710e-27 -1.69181202469082e-31  6.97607363399612e-51 1.31666226680381e-52  -1.06745554909124e-50 -2.23553621985257e-52  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.78769534767384e+00 4.41545221021180e+01  -4.98250212066865e-01   1.66943644317811e-37 1.66943644317811e-37  -1.81570402058383e-37 -1.81570402058383e-37  7.19560198811344e-28 1.10139965995168e-31  -7.63170663078767e-28 -1.18110159773430e-31  3.82388270780195e-51 7.06281101828248e-53  -5.85118048176328e-51 -1.19918213485681e-52  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.79334767383692e+00 4.44048045352353e+01  -4.95441883628543e-01   1.07763351192932e-37 1.07763351192932e-37  -1.17205042189709e-37 -1.17205042189709e-37  5.26925128677749e-28 7.67692580320164e-32  -5.58860613390454e-28 -8.23246160844288e-32  2.09071421835000e-51 3.77869534589754e-53  -3.19914402361333e-51 -6.41578326445419e-53  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.79900000000000e+00 4.46565056519514e+01  -4.92649384001578e-01   7.83542899091178e-38 7.83542899091178e-38  -8.52193127502960e-38 -8.52193127502960e-38  3.89283175898203e-28 5.91426769562872e-32  -4.12876615288835e-28 -6.34225063309360e-32  1.34870091626781e-51 2.39856149423917e-53  -2.06373988912330e-51 -4.07247946675120e-53  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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3.79900000000000e+00 4.46565056519514e+01  5.44052901877794e-28
density.PCC>