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

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

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

 <<< Atom >>>
 AtomSpecies                 49
 max.ocupied.N               5
 total.electron              49.0000
 valence.electron            19.0000

 <ocupied.electrons
 1  2.0000 
 2  2.0000  6.0000 
 3  2.0000  6.0000  10.0000 
 4  2.0000  6.0000  10.0000  0.0000 
 5  2.0000  1.0000  0.0000  0.0000  0.0000 
 ocupied.electrons>

 <<< parameters for solving 1D-differential equations >>>
 grid.xmin                   -8.000
 grid.xmax                    3.800
 grid.num                    11000
 grid.num.output             2000

 <<< SCF >>>
 scf.maxIter                 45
 scf.Mixing.Type             Simple
 scf.Init.Mixing.Weight      0.10000
 scf.Min.Mixing.Weight       0.00100
 scf.Max.Mixing.Weight       0.40000
 scf.Mixing.History          7
 scf.Mixing.StartPulay       4
 scf.criterion               0.00000000000010

 <<< Pseudo potential >>>
 vps.type                    TM
 number.vps                  5
 <pseudo.NandL
  0    4   1   1.2000
  1    4   2   1.1000
  2    4   3   1.3000
  3    5   0   2.0000
  4    5   1   1.2000
 pseudo.NandL>
 Blochl.projector.num        2
 local.type                  Polynomial
 local.part.vps              5
 local.cutoff                1.30000
 local.origin.ratio          3.20000
 log.deri.RadF.calc          ON
 log.deri.MinE               -3.50000
 log.deri.MaxE               2.50000
 log.deri.num                50
 <log.deri.R
  0   3.4000  3.4000
  1   2.6000  2.6000
  2   2.6000  2.6000
  3   2.6000  2.6000
 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                    3
 num.pao                     5
 radial.cutoff.pao           5.00000
 height.of.wall              20000.00000
 rising.edge                 0.20000
 search.LowerE               -3.00000
 search.UpperE               30.00000
 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     -1016.4165296406170    -1016.4165296406170
 n=  2  l=  0      -152.1694498585152     -152.1694498585152
 n=  2  l=  1      -134.3518876393759     -142.0810066187776
 n=  3  l=  0       -28.8233713842983      -28.8233713842983
 n=  3  l=  1       -23.3869746522068      -24.7852211234243
 n=  3  l=  2       -15.7052215561527      -15.9907611814789
 n=  4  l=  0        -4.3602962105993       -4.3602962105993
 n=  4  l=  1        -2.7910776629688       -3.0386632297210
 n=  4  l=  2        -0.6683959429738       -0.7000906581870
 n=  5  l=  0        -0.3093926720617       -0.3093926720617
 n=  5  l=  1        -0.0962139559383       -0.1079663762351


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

 Eeigen =    -3560.8870091716553
 Ekin   =     6186.9681455479704
 EHart  =     2379.4842140148176
 Exc    =     -155.1916981084178
 Eec    =   -14301.0185522706306
 Etot   = Ekin + EHart + Exc + Eec
 Etot   =    -5889.7578908162604


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

j.dependent.pseudo.potentials   on

<VPS> L=0, dif of log deris for all electrons = 1620.2809384521 1620.2809384521
<VPS> L=0, dif of log deris for semi local    = 4354.9321365772 4354.9321365772
<VPS> L=1, dif of log deris for all electrons = 8501840.6805623844 8076.5165950702
<VPS> L=1, dif of log deris for semi local    = 8584026.9749006107 1205.8738661284
<VPS> L=2, dif of log deris for all electrons = 6036.8151323635 3909.0711197737
<VPS> L=2, dif of log deris for semi local    = 13515.1757861199   88.8487610200
<VPS> L=3, dif of log deris for all electrons = 5319.2283972880 4721.3663936333
<VPS> L=3, dif of log deris for semi local    =  285.0879200827  865.7576786779

<project.energies
 8
 0    2.58748663303436e+00   2.58748663303436e+00
 0    2.60465726945911e+00   2.60465726945911e+00
 1    2.40351640463149e-01   2.28557522714359e-01
 1    6.10233954011428e-01   5.80466618817121e-01
 2    5.35892231023734e-01   5.24229261038672e-01
 2    1.63829757866447e+00   1.60812344000118e+00
 3    1.62072405590622e+00   1.62388608401990e+00
 3    6.47044361536317e+00   6.54523220710373e+00
project.energies>

<Pseudo.Potentials
-8.00000000000000e+00 3.35462627902512e-04  -4.67443392109351e+01   3.59363513093464e+00 3.59363513093464e+00  1.00241596876977e+01 1.00241596876977e+01  2.64010361372711e-02 2.81376804570688e-02  3.02512416872390e-02 3.14311568728092e-02  1.03658052590774e-05 1.05026985605667e-05  1.17183618089471e-05 1.17529101332980e-05  7.41312169231368e-10 7.23562166646538e-10  1.55461159862026e-10 1.27390555621018e-10
-7.99409754877439e+00 3.37448534795440e-04  -4.67443392109351e+01   3.59363514662665e+00 3.59363514662665e+00  1.00241597756650e+01 1.00241597756650e+01  2.65573278564978e-02 2.83042529522697e-02  3.04303265621427e-02 3.16172267740995e-02  1.04888977503593e-05 1.06274166422276e-05  1.18575159177831e-05 1.18924745075191e-05  7.54555795738853e-10 7.36488688583727e-10  1.58238558997482e-10 1.29666469317658e-10
-7.98819509754877e+00 3.39446198068541e-04  -4.67443392109351e+01   3.59363516250499e+00 3.59363516250499e+00  1.00241598646770e+01 1.00241598646770e+01  2.67145448095186e-02 2.84718115425991e-02  3.06104716095977e-02 3.18043981993585e-02  1.06134519484478e-05 1.07536157343987e-05  1.19983224676893e-05 1.20336961948683e-05  7.68036021650730e-10 7.49646144841356e-10  1.61065578821381e-10 1.31983044562331e-10
-7.98229264632316e+00 3.41455687318469e-04  -4.67443392109351e+01   3.59363517857190e+00 3.59363517857190e+00  1.00241599547461e+01 1.00241599547461e+01  2.68726924736595e-02 2.86403620656784e-02  3.07916831058517e-02 3.19926776696434e-02  1.07394852109302e-05 1.08813134238977e-05  1.21408010813116e-05 1.21765948758517e-05  7.81757073850288e-10 7.63038661096279e-10  1.63943105875442e-10 1.34341007839600e-10
-7.97639019509755e+00 3.43477072553882e-04  -4.67443392109351e+01   3.59363519482959e+00 3.59363519482959e+00  1.00241600458846e+01 1.00241600458846e+01  2.70317763586720e-02 2.88099103936875e-02  3.09739673643095e-02 3.21820717446176e-02  1.08670151015137e-05 1.10105275063836e-05  1.22849716143153e-05 1.23211904646818e-05  7.95723254777868e-10 7.76670436773333e-10  1.66872042550454e-10 1.36741098621989e-10
-7.97048774387194e+00 3.45510424197887e-04  -4.67443392109351e+01   3.59363521128034e+00 3.59363521128034e+00  1.00241601381054e+01 1.00241601381054e+01  2.71918020069256e-02 2.89804624335698e-02  3.11573307357528e-02 3.23725870227801e-02  1.09960593924725e-05 1.11412759888373e-05  1.24308541581528e-05 1.24675031120537e-05  8.09938943674645e-10 7.90545746259332e-10  1.69853307347251e-10 1.39184069583844e-10
-7.96458529264632e+00 3.47555813090484e-04  -4.67443392109351e+01   3.59363522792644e+00 3.59363522792644e+00  1.00241602314214e+01 1.00241602314214e+01  2.73527749936005e-02 2.91520241272378e-02  3.13417796085619e-02 3.25642301416946e-02  1.11266360671249e-05 1.12735770920705e-05  1.25784690428629e-05 1.26155532079527e-05  8.24408598103866e-10 8.04668940387912e-10  1.72887835195821e-10 1.41670686862902e-10
-7.95868284142071e+00 3.49613310491041e-04  -4.67443392109351e+01   3.59363524477021e+00 3.59363524477021e+00  1.00241603258454e+01 1.00241603258454e+01  2.75147009268820e-02 2.93246014517800e-02  3.15273204089377e-02 3.27570077782212e-02  1.12587633223391e-05 1.14074492532654e-05  1.27278368399045e-05 1.27653613844960e-05  8.39136755156674e-10 8.19044447616446e-10  1.75976577708359e-10 1.44201730267590e-10
-7.95278039019510e+00 3.51682988080777e-04  -4.67443392109351e+01   3.59363526181400e+00 3.59363526181400e+00  1.00241604213907e+01 1.00241604213907e+01  2.76775854481560e-02 2.94982004196694e-02  3.17139596011266e-02 3.29509266487494e-02  1.13924595710696e-05 1.15429111285441e-05  1.28789783650239e-05 1.29169485188084e-05  8.54128033111881e-10 8.33676775646118e-10  1.79120503527453e-10 1.46777993562449e-10
-7.94687793896949e+00 3.53764917965253e-04  -4.67443392109351e+01   3.59363527906018e+00 3.59363527906018e+00  1.00241605180706e+01 1.00241605180706e+01  2.78414342322052e-02 2.96728270789731e-02  3.19017036876446e-02 3.31459935094314e-02  1.15277434449226e-05 1.16799815955680e-05  1.30319146811547e-05 1.30703357359316e-05  8.69387132600690e-10 8.48570512558721e-10  1.82320598570472e-10 1.49400284668345e-10
-7.94097548774387e+00 3.55859172676891e-04  -4.67443392109351e+01   3.59363529651115e+00 3.59363529651115e+00  1.00241606158985e+01 1.00241606158985e+01  2.80062529874075e-02 2.98484875135625e-02  3.20905592095051e-02 3.33422151564182e-02  1.16646337967530e-05 1.18186797561689e-05  1.31866671013543e-05 1.32255444117682e-05  8.84918838411725e-10 8.63730328578507e-10  1.85577866408256e-10 1.52069425972865e-10
-7.93507303651826e+00 3.57965825177497e-04  -4.67443392109351e+01   3.59363531416934e+00 3.59363531416934e+00  1.00241607148881e+01 1.00241607148881e+01  2.81720474559340e-02 3.00251878433256e-02  3.22805327464456e-02 3.35395984260960e-02  1.18031497032912e-05 1.19590249390113e-05  1.33432571917736e-05 1.33825961760610e-05  9.00728020611478e-10 8.79160977165775e-10  1.88893328500243e-10 1.54786254522967e-10
-7.92917058529265e+00 3.60084948860805e-04  -4.67443392109351e+01   3.59363533203722e+00 3.59363533203722e+00  1.00241608150531e+01 1.00241608150531e+01  2.83388234139499e-02 3.02029342243806e-02  3.24716309171583e-02 3.37381501953249e-02  1.19433104678021e-05 1.21010367022853e-05  1.35017067746625e-05 1.35415129154072e-05  9.16819636501552e-10 8.94867296927276e-10  1.92268024605067e-10 1.57551622361497e-10
-7.92326813406703e+00 3.62216617555030e-04  -4.67443392109351e+01   3.59363535011728e+00 3.59363535011728e+00  1.00241609164076e+01 1.00241609164076e+01  2.85065866718150e-02 3.03817328492895e-02  3.26638603795195e-02 3.39378773816781e-02  1.20851356227750e-05 1.22447348364329e-05  1.36620379314114e-05 1.37023167763086e-05  9.33198731691470e-10 9.10854212663329e-10  1.95703013005705e-10 1.60366396711699e-10
-7.91736568284142e+00 3.64360905525447e-04  -4.67443392109351e+01   3.59363536841203e+00 3.59363536841203e+00  1.00241610189656e+01 1.00241610189656e+01  2.86753430742867e-02 3.05615899472746e-02  3.28572278308226e-02 3.41387869436833e-02  1.22286449326456e-05 1.23901393669056e-05  1.38242730056287e-05 1.38650301682582e-05  9.49870442215390e-10 9.27126737433851e-10  1.99199370953540e-10 1.63231460341108e-10
-7.91146323161581e+00 3.66517887476971e-04  -4.67443392109351e+01   3.59363538692403e+00 3.59363538692403e+00  1.00241611227415e+01 1.00241611227415e+01  2.88450985007235e-02 3.07425117844354e-02  3.30517400080108e-02 3.43408858810648e-02  1.23738583965502e-05 1.25372705569553e-05  1.39884346062543e-05 1.40296757668631e-05  9.66839995553782e-10 9.43689973555595e-10  2.02758194882748e-10 1.66147711737297e-10
-7.90556078039020e+00 3.68687638556765e-04  -4.67443392109351e+01   3.59363540565584e+00 3.59363540565584e+00  1.00241612277496e+01 1.00241612277496e+01  2.90158588652899e-02 3.09245046639666e-02  3.32474036879125e-02 3.45441812349879e-02  1.25207962511131e-05 1.26861489104579e-05  1.41545456107104e-05 1.41962765170050e-05  9.84112712917183e-10 9.60549114831197e-10  2.06380600889497e-10 1.69116065500531e-10
-7.89965832916458e+00 3.70870234356855e-04  -4.67443392109351e+01   3.59363542461009e+00 3.59363542461009e+00  1.00241613340047e+01 1.00241613340047e+01  2.91876301171619e-02 3.11075749263780e-02  3.34442256874769e-02 3.47486800883042e-02  1.26694789732666e-05 1.28367951747713e-05  1.43226291680905e-05 1.43648556360375e-05  1.00169401021308e-09 9.77709447492917e-10  2.10067724934766e-10 1.72137452510008e-10
-7.89375587793897e+00 3.73065750916766e-04  -4.67443392109351e+01   3.59363544378941e+00 3.59363544378941e+00  1.00241614415215e+01 1.00241614415215e+01  2.93604182407353e-02 3.12917289497153e-02  3.36422128640117e-02 3.49543895657979e-02  1.28199272831045e-05 1.29892303436258e-05  1.44927087023849e-05 1.45354366170221e-05  1.01958940050446e-09 9.95176352602376e-10  2.13820723360229e-10 1.75212820346662e-10
-7.88785342671336e+00 3.75274264726168e-04  -4.67443392109351e+01   3.59363546319648e+00 3.59363546319648e+00  1.00241615503150e+01 1.00241615503150e+01  2.95342292558333e-02 3.14769731497826e-02  3.38413721154224e-02 3.51613168344348e-02  1.29721621467698e-05 1.31434756600506e-05  1.46648079157455e-05 1.47080432320020e-05  1.03780449491825e-09 1.01295530693714e-09  2.17640773078872e-10 1.78343133449326e-10
-7.88195097548774e+00 3.77495852727544e-04  -4.67443392109351e+01   3.59363548283400e+00 3.59363548283400e+00  1.00241616604004e+01 1.00241616604004e+01  2.97090692179167e-02 3.16633139803654e-02  3.40417103804524e-02 3.53694691036119e-02  1.31262047793765e-05 1.32995526193341e-05  1.48389507917888e-05 1.48826995353156e-05  1.05634500528673e-09 1.03105188556900e-09  2.21529072129192e-10 1.81529373568975e-10
-7.87604852426213e+00 3.79730592318868e-04  -4.67443392109351e+01   3.59363550270470e+00 3.59363550270470e+00  1.00241617717929e+01 1.00241617717929e+01  2.98849442182946e-02 3.18507579334558e-02  3.42432346389247e-02 3.55788536254080e-02  1.32820766479660e-05 1.34574829720189e-05  1.50151615989386e-05 1.50594298669481e-05  1.07521674499348e-09 1.04947176268962e-09  2.25486839852723e-10 1.84772539914148e-10
-7.87014607303652e+00 3.81978561356304e-04  -4.67443392109351e+01   3.59363552281136e+00 3.59363552281136e+00  1.00241618845082e+01 1.00241618845082e+01  3.00618603843371e-02 3.20393115394790e-02  3.44459519119856e-02 3.57894776948375e-02  1.34397994744991e-05 1.36172887269335e-05  1.51934648938082e-05 1.52382588559246e-05  1.09442563180623e-09 1.06822071437556e-09  2.29515317488421e-10 1.88073649638120e-10
-7.86424362181091e+00 3.84239838156917e-04  -4.67443392109351e+01   3.59363554315677e+00 3.59363554315677e+00  1.00241619985619e+01 1.00241619985619e+01  3.02398238796884e-02 3.22289813675201e-02  3.46498692623489e-02 3.60013486501040e-02  1.35993952388827e-05 1.37789921542592e-05  1.53738855246227e-05 1.54192114237416e-05  1.11397768865624e-09 1.08730461934898e-09  2.33615768336251e-10 1.91433737972919e-10
-7.85834117058529e+00 3.86514501501398e-04  -4.67443392109351e+01   3.59363556374377e+00 3.59363556374377e+00  1.00241621139700e+01 1.00241621139700e+01  3.04188409044814e-02 3.24197740255534e-02  3.48549937945421e-02 3.62144738728557e-02  1.37608861820330e-05 1.39426157886337e-05  1.55564486346815e-05 1.56023127878406e-05  1.13387904667118e-09 1.10672946193795e-09  2.37789478393473e-10 1.94853858750815e-10
-7.85243871935968e+00 3.88802630636819e-04  -4.67443392109351e+01   3.59363558457523e+00 3.59363558457523e+00  1.00241622307484e+01 1.00241622307484e+01  3.05989176955542e-02 3.26116961606729e-02  3.50613326551543e-02 3.64288607884435e-02  1.39242948089752e-05 1.41081824322916e-05  1.57411796658633e-05 1.57875884651229e-05  1.15413594588376e-09 1.12650133276811e-09  2.42037756503414e-10 1.98335084526262e-10
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3.69275587793897e+00 4.01553578749428e+01  -4.73162262889580e-01   1.21606737449356e-18 1.21606737449356e-18  -1.24555471845104e-18 -1.24555471845104e-18  1.40128498551623e-44 3.12747222993130e-46  -1.76008428716079e-44 -4.02466945136984e-46  2.11938909165575e-25 7.66194013502371e-26  -2.52743076880836e-25 -9.20977576738880e-26  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.69865832916458e+00 4.03930737793655e+01  -4.70377671781308e-01   1.00102526219803e-18 1.00102526219803e-18  -1.02529834130028e-18 -1.02529834130028e-18  8.18022129566193e-45 1.78688337928219e-46  -1.02747693378791e-44 -2.29949779017171e-46  1.60597954955009e-25 5.77107566364426e-26  -1.91517577916146e-25 -6.93692705356554e-26  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.70456078039020e+00 4.06321969393626e+01  -4.67609468115589e-01   8.23137544830798e-19 8.23137544830798e-19  -8.43097246649558e-19 -8.43097246649558e-19  4.76126753679325e-45 1.01781286356896e-46  -5.98039190187245e-45 -1.30979930183584e-46  1.21509023079833e-25 4.34009632000153e-26  -1.44902946039341e-25 -5.21686723197834e-26  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.71046323161581e+00 4.08727356857536e+01  -4.64857555573218e-01   6.76141804402887e-19 6.76141804402887e-19  -6.92537174320649e-19 -6.92537174320649e-19  2.76314301523124e-45 5.77981462955903e-47  -3.47064708253502e-45 -7.43790729193712e-47  9.17940083583279e-26 3.25885225774510e-26  -1.09466964761647e-25 -3.91719457787726e-26  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.71636568284142e+00 4.11146983986754e+01  -4.62121838153417e-01   5.54801811301064e-19 5.54801811301064e-19  -5.68254933434774e-19 -5.68254933434774e-19  1.59878010338212e-45 3.27200480547278e-47  -2.00814864184268e-45 -4.21066621160706e-47  6.92391700997402e-26 2.44313188283888e-26  -8.25696894213997e-26 -2.93668550982923e-26  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.72226813406703e+00 4.13580935078746e+01  -4.59402220677628e-01   4.54747938608734e-19 4.54747938608734e-19  -4.65774947539864e-19 -4.65774947539864e-19  9.22326235065479e-46 1.84660936783357e-47  -1.15848846403459e-45 -2.37635843923962e-47  5.21458047342158e-26 1.82870823654934e-26  -6.21853705304535e-26 -2.19813826225967e-26  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.72817058529265e+00 4.16029294930012e+01  -4.56698608261546e-01   3.72334244266451e-19 3.72334244266451e-19  -3.81362871661177e-19 -3.81362871661177e-19  5.30481761583197e-46 1.03890318197073e-47  -6.66312006206641e-46 -1.33694032116204e-47  3.92112835959945e-26 1.36663063170950e-26  -4.67605883044390e-26 -1.64271336805039e-26  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.73407303651826e+00 4.18492148839037e+01  -4.54010906853579e-01   3.04524844314847e-19 3.04524844314847e-19  -3.11909210604822e-19 -3.11909210604822e-19  3.04196298207063e-46 5.82670370436267e-48  -3.82086010261491e-46 -7.49824989758471e-48  2.94391609297821e-26 1.01968417303464e-26  -3.51070541600491e-26 -1.22567795313532e-26  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.73997548774387e+00 4.20969582609267e+01  -4.51339022673081e-01   2.48792021757828e-19 2.48792021757828e-19  -2.54824957394802e-19 -2.54824957394802e-19  1.73905278535912e-46 3.25757515928889e-48  -2.18433883034142e-46 -4.19209823891927e-48  2.20676659325333e-26 7.59594286517496e-27  -2.63163356288947e-26 -9.13045541650302e-27  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.74587793896948e+00 4.23461682552095e+01  -4.48682862781915e-01   2.03035660739035e-19 2.03035660739035e-19  -2.07959074067797e-19 -2.07959074067797e-19  9.91188373235810e-47 1.81551739535700e-48  -1.24498314168565e-46 -2.33634757157470e-48  1.65159209877783e-26 5.64934462244737e-27  -1.96957202056260e-26 -6.79061133151978e-27  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.75178039019510e+00 4.25968535489871e+01  -4.46042334490428e-01   1.65510930037948e-19 1.65510930037948e-19  -1.69524421782571e-19 -1.69524421782571e-19  5.63196742577225e-47 1.00858978448333e-48  -7.07403876685692e-47 -1.29793108287827e-48  1.23412283625054e-26 4.19477162537678e-27  -1.47172786154765e-26 -5.04218970465335e-27  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.75768284142071e+00 4.28490228758921e+01  -4.43417345960586e-01   1.34771400329140e-19 1.34771400329140e-19  -1.38039498897401e-19 -1.38039498897401e-19  3.19032984848593e-47 5.58534135285728e-49  -4.00721752278503e-47 -7.18764830579600e-49  9.20709232786138e-27 3.10965230769878e-27  -1.09797303512139e-26 -3.73785755214025e-27  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.76358529264632e+00 4.31026850212599e+01  -4.40807805581207e-01   1.09617950004041e-19 1.09617950004041e-19  -1.12276107948354e-19 -1.12276107948354e-19  1.80159210664593e-47 3.08302736494791e-49  -2.26289201675813e-47 -3.96747782314340e-49  6.85786754954093e-27 2.30145374752495e-27  -8.17821120555186e-27 -2.76638880577461e-27  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.76948774387194e+00 4.33578488224340e+01  -4.38213622601173e-01   8.90587757294077e-20 8.90587757294077e-20  -9.12183966112667e-20 -9.12183966112667e-20  1.01422806404862e-47 1.69633812904288e-49  -1.27392251248888e-47 -2.18297912229848e-49  5.09986475625277e-27 1.70051354521242e-27  -6.08174127645572e-27 -2.04404812321031e-27  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.77539019509755e+00 4.36145231690739e+01  -4.35634706475390e-01   7.22734571564220e-20 7.22734571564220e-20  -7.40260511045551e-20 -7.40260511045551e-20  5.69173522889146e-48 9.30301753709977e-50  -7.14911210103746e-48 -1.19718434085192e-49  3.78640045143294e-27 1.25441231764378e-27  -4.51539634601768e-27 -1.50782654092234e-27  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.78129264632316e+00 4.38727170034656e+01  -4.33070967526629e-01   5.85849614401481e-20 5.85849614401481e-20  -6.00056219142808e-20 -6.00056219142808e-20  3.18417985714322e-48 5.08543126559934e-50  -3.99949388708988e-48 -6.54432722270137e-50  2.80670372849644e-27 9.23818582497827e-28  -3.34707895757208e-27 -1.11044696162368e-27  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.78719509754877e+00 4.41324393208320e+01  -4.30522316263643e-01   4.74346342379347e-20 4.74346342379347e-20  -4.85849084049351e-20 -4.85849084049351e-20  1.77573592511484e-48 2.77080603747338e-50  -2.23041591978239e-48 -3.56568826913614e-50  2.07717101715565e-27 6.79238653834069e-28  -2.47708946226459e-27 -8.16457478412606e-28  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.79309754877439e+00 4.43936991696472e+01  -4.27988664070223e-01   3.83480432445539e-20 3.83480432445539e-20  -3.92779741259279e-20 -3.92779741259279e-20  9.89006113595282e-49 1.50773514435612e-50  -1.24224277586259e-48 -1.94027073937565e-50  1.53428423752260e-27 4.98425939138868e-28  -1.82968072189689e-27 -5.99117308711512e-28  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.79900000000000e+00 4.46565056519514e+01  -4.25469922490103e-01   3.12793545931026e-20 3.12793545931026e-20  -3.20378743315825e-20 -3.20378743315825e-20  6.93728116609259e-49 1.04217533475421e-50  -8.71358412690487e-49 -1.34115229064746e-50  1.14562971862768e-27 3.69749402446371e-28  -1.36619852154628e-27 -4.44445755950514e-28  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  1.46473420838592e-26
density.PCC>