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

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

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

 <<< Atom >>>
 AtomSpecies                 19
 max.ocupied.N               4
 total.electron              19.0000
 valence.electron            9.0000

 <ocupied.electrons
 1  2.0000 
 2  2.0000  6.0000 
 3  2.0000  6.0000  0.0000 
 4  1.0000  0.0000  0.0000  0.0000 
 ocupied.electrons>

 <<< parameters for solving 1D-differential equations >>>
 grid.xmin                   -7.000
 grid.xmax                    3.200
 grid.num                    12000
 grid.num.output             2000

 <<< SCF >>>
 scf.maxIter                 35
 scf.Mixing.Type             Simple
 scf.Init.Mixing.Weight      0.10000
 scf.Min.Mixing.Weight       0.00100
 scf.Max.Mixing.Weight       0.60000
 scf.Mixing.History          7
 scf.Mixing.StartPulay       4
 scf.criterion               0.00000000000100

 <<< Pseudo potential >>>
 vps.type                    TM
 number.vps                  4
 <pseudo.NandL
  0    3   0   1.6000
  1    3   1   1.9000
  2    3   2   1.9000
  3    4   0   1.9000
 pseudo.NandL>
 Blochl.projector.num        2
 local.type                  Polynomial
 local.part.vps              4
 local.cutoff                1.70000
 local.origin.ratio          3.10000
 log.deri.RadF.calc          OFF
 log.deri.MinE               -2.00000
 log.deri.MaxE               2.00000
 log.deri.num                50
 <log.deri.R
  0   2.5000  2.5000
  1   2.5000  2.5000
  2   2.5000  2.5000
 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            8.00000

 <<< Pseudo atomic orbitals >>>
 maxL.pao                    2
 num.pao                     5
 radial.cutoff.pao           9.00000
 height.of.wall              20000.00000
 rising.edge                 0.20000
 search.LowerE               -3.00000
 search.UpperE               20.00000
 num.of.partition            1200
 matching.point.ratio        0.67000

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


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

                         j=l+1/2                j=l-1/2
 n=  1  l=  0      -128.9976448982389     -128.9976448982389
 n=  2  l=  0       -12.9419517584732      -12.9419517584732
 n=  2  l=  1       -10.2541480007202      -10.3601569178267
 n=  3  l=  0        -1.2915512644185       -1.2915512644185
 n=  3  l=  1        -0.6904141527549       -0.7003992418801
 n=  4  l=  0        -0.0895484576948       -0.0895484576948


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

 Eeigen =     -352.5671992395021
 Ekin   =      603.5373326619434
 EHart  =      258.5890405380508
 Exc    =      -31.8171156506247
 Eec    =    -1431.2012114384036
 Etot   = Ekin + EHart + Exc + Eec
 Etot   =     -600.8919538890340


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

j.dependent.pseudo.potentials   on
<project.energies
 6
 0    5.78743798618438e-01   5.78743798618438e-01
 0    2.06043064556412e+00   2.06043064556412e+00
 1    1.06608119080475e+00   1.05888586436116e+00
 1    3.33697868352817e+00   3.30074833010093e+00
 2    4.41230921648313e+00   4.42287375776138e+00
 2    8.04305228575252e+00   8.18981386781554e+00
project.energies>

<Pseudo.Potentials
-7.00000000000000e+00 9.11881965554516e-04  -1.64093143869355e+01   8.49807943566546e+00 8.49807943566546e+00  6.54326773274392e+00 6.54326773274392e+00  9.14270038131260e-03 9.18763601024097e-03  8.95459361384506e-03 8.99229712618088e-03  1.93539793723992e-06 1.91732406364836e-06  4.65118484734315e-06 4.58812885776611e-06
-6.99489794897449e+00 9.16546322647843e-04  -1.64093143869355e+01   8.49807946581181e+00 8.49807946581181e+00  6.54326778520436e+00 6.54326778520436e+00  9.18946607238333e-03 9.23463155046363e-03  9.00039718256854e-03 9.03829355216983e-03  1.95524805730566e-06 1.93698881216308e-06  4.69888919547108e-06 4.63518648285412e-06
-6.98979589794897e+00 9.21234538341203e-04  -1.64093143869355e+01   8.49807949630162e+00 8.49807949630162e+00  6.54326783829679e+00 6.54326783829679e+00  9.23647097368130e-03 9.28186747660444e-03  9.04643504124795e-03 9.08452525460699e-03  1.97530176744419e-06 1.95685524952238e-06  4.74708282058258e-06 4.68272675192839e-06
-6.98469384692346e+00 9.25946734673451e-04  -1.64093143869355e+01   8.49807952713958e+00 8.49807952713958e+00  6.54326789203091e+00 6.54326789203091e+00  9.28371630878393e-03 9.32934501825447e-03  9.09270838831500e-03 9.13099343697033e-03  1.99556115575849e-06 1.97692544432974e-06  4.79577074099763e-06 4.73075461527888e-06
-6.97959179589795e+00 9.30683034307682e-04  -1.64093143869355e+01   8.49807955832903e+00 8.49807955832903e+00  6.54326794641267e+00 6.54326794641267e+00  9.33120330752470e-03 9.37706541129162e-03  9.13921842832358e-03 9.17769930888571e-03  2.01602833176439e-06 1.99720148640146e-06  4.84495802648379e-06 4.77927507394545e-06
-6.97448974487244e+00 9.35443560534420e-04  -1.64093143869355e+01   8.49807958987340e+00 8.49807958987340e+00  6.54326800144822e+00 6.54326800144822e+00  9.37893320602774e-03 9.42502989791534e-03  9.18596637198936e-03 9.22464408616675e-03  2.03670542661394e-06 2.01768548698804e-06  4.89464979880887e-06 4.82829318026335e-06
-6.96938769384692e+00 9.40228437274835e-04  -1.64093143869355e+01   8.49807962177616e+00 8.49807962177616e+00  6.54326805714380e+00 6.54326805714380e+00  9.42690724674002e-03 9.47323972667896e-03  9.23295343622116e-03 9.27182899084622e-03  2.05759459331727e-06 2.03837957899392e-06  4.94485123227361e-06 4.87781403838856e-06
-6.96428564282141e+00 9.45037789083962e-04  -1.64093143869355e+01   8.49807965404080e+00 8.49807965404080e+00  6.54326811350568e+00 6.54326811350568e+00  9.47512667846357e-03 9.52169615252217e-03  9.28018084415250e-03 9.31925525120786e-03  2.07869800696671e-06 2.05928591719955e-06  4.99556755425035e-06 4.92784280482931e-06
-6.95918359179590e+00 9.49871741153949e-04  -1.64093143869355e+01   8.49807968667085e+00 8.49807968667085e+00  6.54326817054020e+00 6.54326817054020e+00  9.52359275638809e-03 9.57040043680367e-03  9.32764982517351e-03 9.36692410181837e-03  2.10001786496332e-06 2.08040667848580e-06  5.04680404572763e-06 4.97838468898318e-06
-6.95408154077039e+00 9.54730419317309e-04  -1.64093143869355e+01   8.49807971966990e+00 8.49807971966990e+00  6.54326822825380e+00 6.54326822825380e+00  9.57230674212357e-03 9.61935384733401e-03  9.37536161496294e-03 9.41483678355953e-03  2.12155638724568e-06 2.10174406206058e-06  5.09856604185989e-06 5.02944495367945e-06
-6.94897948974487e+00 9.59613950050203e-04  -1.64093143869355e+01   8.49807975304155e+00 8.49807975304155e+00  6.54326828665294e+00 6.54326828665294e+00  9.62126990373310e-03 9.66855765840858e-03  9.42331745552028e-03 9.46299454366048e-03  2.14331581652107e-06 2.12330028968787e-06  5.15085893252320e-06 5.08102891572721e-06
-6.94387743871936e+00 9.64522460475728e-04  -1.64093143869355e+01   8.49807978678944e+00 8.49807978678944e+00  6.54326834574420e+00 6.54326834574420e+00  9.67048351576595e-03 9.71801315084080e-03  9.47151859519819e-03 9.51139863573026e-03  2.16529841849899e-06 2.14507760591910e-06  5.20368816287669e-06 5.13314194646920e-06
-6.93877538769385e+00 9.69456078367225e-04  -1.64093143869355e+01   8.49807982091727e+00 8.49807982091727e+00  6.54326840553418e+00 6.54326840553418e+00  9.71994885929071e-03 9.76772161199546e-03  9.51996628873491e-03 9.56005031979044e-03  2.18750648212706e-06 2.16707827832682e-06  5.25705923392940e-06 5.18578947234105e-06
-6.93367333666833e+00 9.74414932151608e-04  -1.64093143869355e+01   8.49807985542875e+00 8.49807985542875e+00  6.54326846602960e+00 6.54326846602960e+00  9.76966722192861e-03 9.81768433582219e-03  9.56866179728692e-03 9.60895086230780e-03  2.20994231982940e-06 2.18930459774082e-06  5.31097770311314e-06 5.23897697543629e-06
-6.92857128564282e+00 9.79399150912707e-04  -1.64093143869355e+01   8.49807989032766e+00 8.49807989032766e+00  6.54326852723721e+00 6.54326852723721e+00  9.81963989788706e-03 9.86790262288917e-03  9.61760638846185e-03 9.65810153622747e-03  2.23260826774737e-06 2.21175887848668e-06  5.36544918486132e-06 5.29270999407734e-06
-6.92346923461731e+00 9.84408864394627e-04  -1.64093143869355e+01   8.49807992561779e+00 8.49807992561779e+00  6.54326858916384e+00 6.54326858916384e+00  9.86986818799334e-03 9.91837778041700e-03  9.66680133635141e-03 9.70750362100594e-03  2.25550668598291e-06 2.23444345862680e-06  5.42047935119376e-06 5.34699412339234e-06
-6.91836718359180e+00 9.89444203005124e-04  -1.64093143869355e+01   8.49807996130298e+00 8.49807996130298e+00  6.54326865181641e+00 6.54326865181641e+00  9.92035339972848e-03 9.96911112231269e-03  9.71624792156461e-03 9.75715840264446e-03  2.27863995884419e-06 2.25736070020378e-06  5.47607393230700e-06 5.40183501589780e-06
-6.91326513256628e+00 9.94505297819003e-04  -1.64093143869355e+01   8.49807999738713e+00 8.49807999738713e+00  6.54326871520191e+00 6.54326871520191e+00  9.97109684726123e-03 1.00201039692039e-02  9.76594743126107e-03 9.80706717372248e-03  2.30201049509397e-06 2.28051298948645e-06  5.53223871717152e-06 5.45723838208715e-06
-6.90816308154077e+00 9.99592280581528e-04  -1.64093143869355e+01   8.49808003387415e+00 8.49808003387415e+00  6.54326877932739e+00 6.54326877932739e+00  1.00220998514823e-02 1.00713576484732e-02  9.81590115918455e-03 9.85723123343129e-03  2.32562072820037e-06 2.30390273721829e-06  5.58897955413424e-06 5.51320999102556e-06
-6.90306103051526e+00 1.00470528371185e-03  -1.64093143869355e+01   8.49808007076802e+00 8.49808007076802e+00  6.54326884419998e+00 6.54326884419998e+00  1.00733637400388e-02 1.01228734942928e-02  9.86611040569658e-03 9.90765188760787e-03  2.34947311659028e-06 2.32753237886848e-06  5.64630235152768e-06 5.56975567095064e-06
-6.89795897948974e+00 1.00984444030646e-03  -1.64093143869355e+01   8.49808010807273e+00 8.49808010807273e+00  6.54326890982689e+00 6.54326890982689e+00  1.01248898473688e-02 1.01746528476593e-02  9.91657647781040e-03 9.95833044876884e-03  2.37357014390532e-06 2.35140437488548e-06  5.70421307828509e-06 5.62688130987927e-06
-6.89285692846423e+00 1.01500988414264e-03  -1.64093143869355e+01   8.49808014579233e+00 8.49808014579233e+00  6.54326897621540e+00 6.54326897621540e+00  1.01766795147357e-02 1.02266970564282e-02  9.96730068922488e-03 1.00092682361447e-02  2.39791431926055e-06 2.37552121095331e-06  5.76271776456256e-06 5.68459285622119e-06
-6.88775487743872e+00 1.02020174968197e-03  -1.64093143869355e+01   8.49808018393092e+00 8.49808018393092e+00  6.54326904337288e+00 6.54326904337288e+00  1.02287340902638e-02 1.02790074753494e-02  1.00182843603589e-02 1.00604665757141e-02  2.42250817750562e-06 2.39988539825026e-06  5.82182250236643e-06 5.74289631939807e-06
-6.88265282641321e+00 1.02542017207380e-03  -1.64093143869355e+01   8.49808022249263e+00 8.49808022249263e+00  6.54326911130675e+00 6.54326911130675e+00  1.02810549289729e-02 1.03315854661024e-02  1.00695288183854e-02 1.01119268002384e-02  2.44735427948879e-06 2.42449947371049e-06  5.88153344618799e-06 5.80179777046953e-06
-6.87755077538769e+00 1.03066528715878e-03  -1.64093143869355e+01   8.49808026148164e+00 8.49808026148164e+00  6.54326918002455e+00 6.54326918002455e+00  1.03336433928137e-02 1.03844323973316e-02  1.01210353972663e-02 1.01636502492965e-02  2.47245521232360e-06 2.44936600028810e-06  5.94185681364447e-06 5.86130334276528e-06
-6.87244872436218e+00 1.03593723147241e-03  -1.64093143869355e+01   8.49808030090217e+00 8.49808030090217e+00  6.54326924953386e+00 6.54326924953386e+00  1.03865008507033e-02 1.04375496446820e-02  1.01728054377870e-02 1.02156382693193e-02  2.49781358965817e-06 2.47448756722407e-06  6.00279888612614e-06 5.92141923252388e-06
-6.86734667333667e+00 1.04123614224856e-03  -1.64093143869355e+01   8.49808034075847e+00 8.49808034075847e+00  6.54326931984236e+00 6.54326931984236e+00  1.04396286785607e-02 1.04909385908351e-02  1.02248402875915e-02 1.02678922136253e-02  2.52343205194751e-06 2.49986679031587e-06  6.06436600945128e-06 5.98215169953824e-06
-6.86224462231116e+00 1.04656215742310e-03  -1.64093143869355e+01   8.49808038105487e+00 8.49808038105487e+00  6.54326939095781e+00 6.54326939095781e+00  1.04930282593428e-02 1.05446006255445e-02  1.02771413012170e-02 1.03204134424554e-02  2.54931326672827e-06 2.52550631218979e-06  6.12656459452584e-06 6.04350706780700e-06
-6.85714257128564e+00 1.05191541563740e-03  -1.64093143869355e+01   8.49808042179571e+00 8.49808042179571e+00  6.54326946288806e+00 6.54326946288806e+00  1.05467009830803e-02 1.05985371456727e-02  1.03297098401300e-02 1.03732033230086e-02  2.57545992889673e-06 2.55140880257620e-06  6.18940111801265e-06 6.10549172619392e-06
-6.85204052026013e+00 1.05729605624205e-03  -1.64093143869355e+01   8.49808046298540e+00 8.49808046298540e+00  6.54326953564100e+00 6.54326953564100e+00  1.06006482469137e-02 1.06527495552270e-02  1.03825472727607e-02 1.04262632294775e-02  2.60187476098918e-06 2.57757695858743e-06  6.25288212300413e-06 6.16811212909228e-06
-6.84693846923462e+00 1.06270421930039e-03  -1.64093143869355e+01   8.49808050462838e+00 8.49808050462838e+00  6.54326960922467e+00 6.54326960922467e+00  1.06548714551302e-02 1.07072392653961e-02  1.04356549745396e-02 1.04795945430838e-02  2.62856051346563e-06 2.60401350499871e-06  6.31701421970523e-06 6.23137479709787e-06
-6.84183641820910e+00 1.06814004559222e-03  -1.64093143869355e+01   8.49808054672914e+00 8.49808054672914e+00  6.54326968364713e+00 6.54326968364713e+00  1.07093720191996e-02 1.07620076945869e-02  1.04890343279326e-02 1.05331986521148e-02  2.65551996499604e-06 2.63072119453187e-06  6.38180408612085e-06 6.29528631768751e-06
-6.83673436718359e+00 1.07360367661742e-03  -1.64093143869355e+01   8.49808058929223e+00 8.49808058929223e+00  6.54326975891658e+00 6.54326975891658e+00  1.07641513578115e-02 1.08170562684616e-02  1.05426867224774e-02 1.05870769519590e-02  2.68275592274979e-06 2.65770280814197e-06  6.44725846875183e-06 6.35985334590553e-06
-6.83163231615808e+00 1.07909525459967e-03  -1.64093143869355e+01   8.49808063232222e+00 8.49808063232222e+00  6.54326983504127e+00 6.54326983504127e+00  1.08192108969118e-02 1.08723864199745e-02  1.05966135548196e-02 1.06412308451430e-02  2.71027122268788e-06 2.68496115530686e-06  6.51338418329722e-06 6.42508260505636e-06
-6.82653026513257e+00 1.08461492249014e-03  -1.64093143869355e+01   8.49808067582375e+00 8.49808067582375e+00  6.54326991202955e+00 6.54326991202955e+00  1.08745520697405e-02 1.09279995894093e-02  1.06508162287490e-02 1.06956617413673e-02  2.73806872985834e-06 2.71249907431980e-06  6.58018811536447e-06 6.49098088740516e-06
-6.82142821410705e+00 1.09016282397119e-03  -1.64093143869355e+01   8.49808071980152e+00 8.49808071980152e+00  6.54326998988985e+00 6.54326998988985e+00  1.09301763168683e-02 1.09838972244169e-02  1.07052961552360e-02 1.07503710575438e-02  2.76615133869446e-06 2.74031943258492e-06  6.64767722118604e-06 6.55755505488505e-06
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3.02042821410705e+00 2.05000682233487e+01  -4.39022929214985e-01   -2.29980378238647e-19 -2.29980378238647e-19  2.76340766531081e-19 2.76340766531081e-19  -6.64343419040945e-16 -5.62951651323200e-16  8.02073448174693e-16 6.82015644025337e-16  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.02553026513257e+00 2.06049278896687e+01  -4.36788716209741e-01   -1.82786448022419e-19 -1.82786448022419e-19  2.19633224528029e-19 2.19633224528029e-19  -5.51680218997700e-16 -4.67080211869039e-16  6.66052818282720e-16 5.65867122056131e-16  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.03063231615808e+00 2.07103239224778e+01  -4.34565873243324e-01   -1.44816120722140e-19 -1.44816120722140e-19  1.74008645566583e-19 1.74008645566583e-19  -4.56769109815007e-16 -3.86388789890320e-16  5.51464734265369e-16 4.68109300259821e-16  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.03573436718359e+00 2.08162590653383e+01  -4.32354342452952e-01   -1.14341999907376e-19 -1.14341999907376e-19  1.37391408762754e-19 1.37391408762754e-19  -3.76979114108461e-16 -3.18615535180320e-16  4.55132736685618e-16 3.86001918571124e-16  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.04083641820911e+00 2.09227360758458e+01  -4.30154066270309e-01   -8.99477290456102e-20 -8.99477290456102e-20  1.08079636153251e-19 1.08079636153251e-19  -3.10048154217437e-16 -2.61817574493603e-16  3.74325752512370e-16 3.17191163696486e-16  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.04593846923462e+00 2.10297577257014e+01  -4.27964987420045e-01   -7.04740544942370e-20 -7.04740544942370e-20  8.46803822892570e-20 8.46803822892570e-20  -2.54034009473312e-16 -2.14328343052262e-16  3.06698883586974e-16 2.59657975047286e-16  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.05104052026013e+00 2.11373268007835e+01  -4.25787048918292e-01   -5.49739001548566e-20 -5.49739001548566e-20  6.60556522231234e-20 6.60556522231234e-20  -2.07271453638041e-16 -1.74720328659879e-16  2.50241656757382e-16 2.11672908254931e-16  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
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3.08165282641321e+00 2.17943949949518e+01  -4.12950210483705e-01   -1.09128542498458e-20 -1.09128542498458e-20  1.31126704614437e-20 1.31126704614437e-20  -5.41377254472711e-17 -4.53900619755222e-17  6.53610330614720e-17 5.49897054798486e-17  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.08675487743872e+00 2.19058752574523e+01  -4.10848683047663e-01   -8.08361134464040e-21 -8.08361134464040e-21  9.71310577612179e-21 9.71310577612179e-21  -4.20123932100599e-17 -3.51917483162851e-17  5.07219730166510e-17 4.26345098041749e-17  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.09185692846423e+00 2.20179257513783e+01  -4.08757850405936e-01   -5.90723077627236e-21 -5.90723077627236e-21  7.09800882626482e-21 7.09800882626482e-21  -3.21711643406117e-17 -2.69234603446150e-17  3.88405450232281e-17 3.26175341369929e-17  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.09695897948975e+00 2.21305493935142e+01  -4.06677658132097e-01   -4.24414424480328e-21 -4.24414424480328e-21  5.09967664150394e-21 5.09967664150394e-21  -2.42261729020445e-17 -2.02557161194330e-17  2.92484713076487e-17 2.45396109184842e-17  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.10206103051526e+00 2.22437491155639e+01  -4.04608052076702e-01   -2.98293546417985e-21 -2.98293546417985e-21  3.58423329422429e-21 3.58423329422429e-21  -1.78505604663082e-17 -1.49111569900621e-17  2.15511298864084e-17 1.80647202313040e-17  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.10716308154077e+00 2.23575278642271e+01  -4.02548978365875e-01   -2.03493156048017e-21 -2.03493156048017e-21  2.44513099316277e-21 2.44513099316277e-21  -1.27694771972390e-17 -1.06568117652948e-17  1.54166899101906e-17 1.29106177545701e-17  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.11226513256628e+00 2.24718886012764e+01  -4.00500383399905e-01   -1.32978920322033e-21 -1.32978920322033e-21  1.59784643781204e-21 1.59784643781204e-21  -8.75233463745154e-18 -7.29744395595969e-18  1.05667582360154e-17 8.84077488161772e-18  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.11736718359180e+00 2.25868343036339e+01  -3.98462213851857e-01   -8.11899885743701e-22 -8.11899885743701e-22  9.75561453274215e-22 9.75561453274215e-22  -5.60614573941944e-18 -4.66983879167218e-18  6.76833866767230e-18 5.65745739037626e-18  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.12246923461731e+00 2.27023679634491e+01  -3.96434416666178e-01   -4.37468547653332e-22 -4.37468547653332e-22  5.25652705047115e-22 5.25652705047115e-22  -3.16980809572585e-18 -2.63790463295660e-18  3.82692995248453e-18 3.19579076662753e-18  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.12757128564282e+00 2.28184925881764e+01  -3.94416939057317e-01   -1.72144652169856e-22 -1.72144652169856e-22  2.06845236876441e-22 2.06845236876441e-22  -1.30920430940639e-18 -1.08847917351353e-18  1.58061033788544e-18 1.31867939071029e-18  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.13267333666833e+00 2.29352112006538e+01  -3.92409728508352e-01   1.08943353008965e-23 1.08943353008965e-23  -1.30903919001419e-23 -1.30903919001419e-23  8.69906623698930e-20 7.22552510295547e-20  -1.05024321045270e-19 -8.75363352912565e-20  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.13777538769385e+00 2.30525268391812e+01  -3.90412732769624e-01   1.32489733717578e-22 1.32489733717578e-22  -1.59196700520018e-22 -1.59196700520018e-22  1.11089134192089e-18 9.21830667317577e-19  -1.34118498955420e-18 -1.11678598430500e-18  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.14287743871936e+00 2.31704425576000e+01  -3.88425899857375e-01   2.08746880267567e-22 2.08746880267567e-22  -2.50825539453519e-22 -2.50825539453519e-22  1.83845657729945e-18 1.52409943564519e-18  -2.21957763426700e-18 -1.84642624701395e-18  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.14797948974487e+00 2.32889614253718e+01  -3.86449178052394e-01   2.52034941118419e-22 2.52034941118419e-22  -3.02839446196440e-22 -3.02839446196440e-22  2.33209037551999e-18 1.93145036065843e-18  -2.81554326191267e-18 -2.33992575479588e-18  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.15308154077039e+00 2.34080865276591e+01  -3.84482515898674e-01   2.71787423307238e-22 2.71787423307238e-22  -3.26573526534204e-22 -3.26573526534204e-22  2.64285218790988e-18 2.18668981962829e-18  -3.19072643940629e-18 -2.64914406877795e-18  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.15818359179590e+00 2.35278209654052e+01  -3.82525862202068e-01   2.75141213835281e-22 2.75141213835281e-22  -3.30603312596391e-22 -3.30603312596391e-22  2.81233174159597e-18 2.32463549470734e-18  -3.39533881213125e-18 -2.81626248667197e-18  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.16328564282141e+00 2.36481678554150e+01  -3.80579166028962e-01   2.67445107933757e-22 2.67445107933757e-22  -3.21355801186031e-22 -3.21355801186031e-22  2.87423620556711e-18 2.37346393797218e-18  -3.47007531693488e-18 -2.87541661665639e-18  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.16838769384692e+00 2.37691303304361e+01  -3.78642376704944e-01   2.52663115589095e-22 2.52663115589095e-22  -3.03594059399691e-22 -3.03594059399691e-22  2.85573106495928e-18 2.35584762291942e-18  -3.44773304150686e-18 -2.85407391316725e-18  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.17348974487244e+00 2.38907115392404e+01  -3.76715443813488e-01   2.33693158982847e-22 2.33693158982847e-22  -2.80800165406107e-22 -2.80800165406107e-22  2.77857048231838e-18 2.28991227871068e-18  -3.35457592687671e-18 -2.77419348465105e-18  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.17859179589795e+00 2.40129146467061e+01  -3.74798317194640e-01   2.12617924455514e-22 2.12617924455514e-22  -2.55476627284208e-22 -2.55476627284208e-22  2.66004803939847e-18 2.19004106724735e-18  -3.21148261168363e-18 -2.65320035107504e-18  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.18369384692346e+00 2.41357428339000e+01  -3.72890946943713e-01   1.90901468855922e-22 1.90901468855922e-22  -2.29382621302514e-22 -2.29382621302514e-22  2.51379448124609e-18 2.06754846356516e-18  -3.03490955936538e-18 -2.50480184687086e-18  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.18879589794897e+00 2.42591992981602e+01  -3.70993283409989e-01   1.69542425510615e-22 1.69542425510615e-22  -2.03718081099852e-22 -2.03718081099852e-22  2.35044416713791e-18 1.93124247852679e-18  -2.83769567275249e-18 -2.33966875057752e-18  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.19389794897449e+00 2.43832872531797e+01  -3.69105277195424e-01   1.49162621307566e-22 1.49162621307566e-22  -1.79230178150160e-22 -1.79230178150160e-22  2.17791652985279e-18 1.78766433956596e-18  -2.62940210331182e-18 -2.16572565666597e-18  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.19900000000000e+00 2.45080099290896e+01  -3.67226879153363e-01   1.30855917058698e-22 1.30855917058698e-22  -1.57233269636335e-22 -1.57233269636335e-22  2.00921042245833e-18 1.64757139829046e-18  -2.42572243085817e-18 -1.99600495394277e-18  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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-6.99489794897449e+00 9.16546322647843e-04  3.13371349603655e-02
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-6.81632616308154e+00 1.09573910346015e-03  3.13371349603669e-02
-6.81122411205603e+00 1.10134390611303e-03  3.13371349603671e-02
-6.80612206103052e+00 1.10697737782836e-03  3.13371349603673e-02
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-6.77550975487744e+00 1.14138852326270e-03  3.13371349603689e-02
-6.77040770385193e+00 1.14722682674475e-03  3.13371349603693e-02
-6.76530565282641e+00 1.15309499366670e-03  3.13371349603696e-02
-6.76020360180090e+00 1.15899317678266e-03  3.13371349603701e-02
-6.75510155077539e+00 1.16492152962815e-03  3.13371349603705e-02
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3.19900000000000e+00 2.45080099290896e+01  3.33179224161210e-17
density.PCC>