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

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

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

 <<< Atom >>>
 AtomSpecies                 88
 max.ocupied.N               7
 total.electron              88.0000
 valence.electron            20.0000

 <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  0.0000  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                  5
 <pseudo.NandL
  0    5   2   1.5000
  1    5   3   1.5000
  2    6   0   1.8000
  3    6   1   1.8000
  4    7   0   1.8000
 pseudo.NandL>
 Blochl.projector.num        2
 local.type                  Polynomial
 local.part.vps              5
 local.cutoff                1.50000
 local.origin.ratio          2.70000
 log.deri.RadF.calc          ON
 log.deri.MinE               -3.50000
 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     -3685.5312122703181    -3685.5312122703181
 n=  2  l=  0      -674.1601701361246     -674.1601701361246
 n=  2  l=  1      -551.7397810867099     -661.0037742057978
 n=  3  l=  0      -168.6806375067318     -168.6806375067318
 n=  3  l=  1      -135.5077816634982     -159.8471679448770
 n=  3  l=  2      -110.4776450403855     -115.4843049140090
 n=  4  l=  0       -40.8413814955991      -40.8413814955991
 n=  4  l=  1       -30.2175105434555      -36.6816621006119
 n=  4  l=  2       -20.7338395540934      -21.9510638680365
 n=  4  l=  3       -10.1355216501428      -10.4507777179816
 n=  5  l=  0        -8.5039506020925       -8.5039506020925
 n=  5  l=  1        -5.3887637226580       -6.8399999897546
 n=  5  l=  2        -2.4136603363236       -2.6230507567838
 n=  6  l=  0        -1.2225930906253       -1.2225930906253
 n=  6  l=  1        -0.5541466322609       -0.7631349412140
 n=  7  l=  0        -0.1248038573123       -0.1248038573123


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

 Eeigen =   -15436.2825843351493
 Ekin   =    28881.8700357648886
 EHart  =     9478.8537319679817
 Exc    =     -293.9845295745655
 Eec    =   -62898.4573033415872
 Etot   = Ekin + EHart + Exc + Eec
 Etot   =   -24831.7180651832823


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

j.dependent.pseudo.potentials   on

<VPS> L=0, dif of log deris for all electrons = 1170.2459026781 1170.2459026781
<VPS> L=0, dif of log deris for semi local    =  717.5137635203  717.5137635203
<VPS> L=1, dif of log deris for all electrons =  153.1815579479    3.5371549188
<VPS> L=1, dif of log deris for semi local    =   33.5769827592    1.6205340146
<VPS> L=2, dif of log deris for all electrons = 1064.5482839310 2474.2953472294
<VPS> L=2, dif of log deris for semi local    =    4.7155836874  163.7782080192
<VPS> L=3, dif of log deris for all electrons =    0.3178200480  349.4667861767
<VPS> L=3, dif of log deris for semi local    =    0.0001514460    7.4339399953

<project.energies
 8
 0    8.24229784558863e-01   8.24229784558863e-01
 0    1.62469818555959e+00   1.62469818555959e+00
 1    1.55619934319033e+00   1.24009988675385e+00
 1    2.82653229561469e+00   2.18475806179636e+00
 2    8.29806477036889e-01   9.12242086690889e-01
 2    2.05837974149228e+00   2.16971454769137e+00
 3    2.18997851054838e+00   2.31267414616024e+00
 3    8.04837006855641e+00   9.64284688507834e+00
project.energies>

<Pseudo.Potentials
-7.50000000000000e+00 5.53084370147834e-04  -3.59907589363027e+01   4.35777867743778e+00 4.35777867743778e+00  7.47666040617910e+00 7.47666040617910e+00  3.65992658632817e-03 3.88621122665023e-03  7.59850285885892e-03 8.14056914468669e-03  1.21015165166951e-05 1.09687832818278e-05  1.77178397032198e-05 1.66998190056747e-05  1.90055584057847e-09 1.53062480122609e-09  2.24066762838287e-09 1.26130303319547e-09
-7.49434767383692e+00 5.56219435262105e-04  -3.59907589363027e+01   4.35777870041809e+00 4.35777870041809e+00  7.47666044110753e+00 7.47666044110753e+00  3.68067225724201e-03 3.90823956077210e-03  7.64157367368337e-03 8.18671258539901e-03  1.22390960339376e-05 1.10934849920335e-05  1.79192699223734e-05 1.68896755458224e-05  1.93305829154234e-09 1.55680085486129e-09  2.27898648498818e-09 1.28287323688840e-09
-7.48869534767384e+00 5.59372270962206e-04  -3.59907589363027e+01   4.35777872314580e+00 4.35777872314580e+00  7.47666047411902e+00 7.47666047411902e+00  3.70153552087797e-03 3.93039275832492e-03  7.68488862508659e-03 8.23311757973457e-03  1.23782396550821e-05 1.12196044003166e-05  1.81229901263925e-05 1.70816904871992e-05  1.96611658052258e-09 1.58342455510856e-09  2.31796063671353e-09 1.30481230995948e-09
-7.48304302151076e+00 5.62542977977695e-04  -3.59907589363027e+01   4.35777874561515e+00 4.35777874561515e+00  7.47666050517865e+00 7.47666050517865e+00  3.72251704377402e-03 3.95267152706232e-03  7.72844909683120e-03 8.27978561018959e-03  1.25189651617818e-05 1.13471576238434e-05  1.83290263483875e-05 1.72758883667782e-05  1.99974021299222e-09 1.61050355719144e-09  2.35760128928317e-09 1.32712655992054e-09
-7.47739069534767e+00 5.65731657609095e-04  -3.59907589363027e+01   4.35777876782024e+00 4.35777876782024e+00  7.47666053425104e+00 7.47666053425104e+00  3.74361749624594e-03 3.97507657874942e-03  7.77225648052159e-03 8.32671816766190e-03  1.26612905378364e-05 1.14761609630032e-05  1.85374049173963e-05 1.74722940004454e-05  2.03393885697416e-09 1.63804564724086e-09  2.39791984002424e-09 1.34982240212376e-09
-7.47173836918459e+00 5.68938411731139e-04  -3.59907589363027e+01   4.35777878958293e+00 4.35777878958293e+00  7.47666056052478e+00 7.47666056052478e+00  3.76483755222306e-03 3.99760862900991e-03  7.81631217468217e-03 8.37391675057652e-03  1.28052339691825e-05 1.16066309009258e-05  1.87481524518302e-05 1.76709324746662e-05  2.06872234442091e-09 1.66605874307245e-09  2.43892787570744e-09 1.37290635688633e-09
-7.46608604302151e+00 5.72163342796015e-04  -3.59907589363027e+01   4.35777881123463e+00 4.35777881123463e+00  7.47666058548319e+00 7.47666058548319e+00  3.78617789000376e-03 4.02026839804335e-03  7.86061758862210e-03 8.42138286857889e-03  1.29508138553275e-05 1.17385841157124e-05  1.89612959020292e-05 1.78718291951035e-05  2.10410067955947e-09 1.69455090222272e-09  2.48063719730253e-09 1.39638506996461e-09
-7.46043371685843e+00 5.75406553836648e-04  -3.59907589363027e+01   4.35777883316175e+00 4.35777883316175e+00  7.47666061085717e+00 7.47666061085717e+00  3.80763919179710e-03 4.04305661019400e-03  7.90517413998191e-03 8.46911804019888e-03  1.30980488058587e-05 1.18720374760742e-05  1.91768625285980e-05 1.80750098607424e-05  2.14008403830039e-09 1.72353032064640e-09  2.52305980990812e-09 1.42026530277650e-09
-7.45478139069535e+00 5.78668148469984e-04  -3.59907589363027e+01   4.35777885536758e+00 4.35777885536758e+00  7.47666063665215e+00 7.47666063665215e+00  3.82922214326613e-03 4.06597399352117e-03  7.94998325228799e-03 8.51712379052257e-03  1.32469576367967e-05 1.20070080367926e-05  1.93948798799912e-05 1.82805004371376e-05  2.17668276746298e-09 1.75300533121028e-09  2.56620791183398e-09 1.44455392187088e-09
-7.44912906453227e+00 5.81948230900308e-04  -3.59907589363027e+01   4.35777887785547e+00 4.35777887785547e+00  7.47666066287369e+00 7.47666066287369e+00  3.85092743396042e-03 4.08902128021107e-03  7.99504635713573e-03 8.56540165328075e-03  1.33975593780765e-05 1.21435130465398e-05  1.96153758178540e-05 1.84883271850377e-05  2.21390739081255e-09 1.78298440928554e-09  2.61009390999820e-09 1.46925791122391e-09
-7.44347673836918e+00 5.85246905922565e-04  -3.59907589363027e+01   4.35777890062879e+00 4.35777890062879e+00  7.47666068952738e+00 7.47666068952738e+00  3.87275575733814e-03 4.11219920660021e-03  8.04036489423517e-03 8.61395317089791e-03  1.35498732759789e-05 1.22815699500831e-05  1.98383785205819e-05 1.86985166637420e-05  2.25176861208653e-09 1.81347617518468e-09  2.65473042349467e-09 1.49438437424705e-09
-7.43782441220610e+00 5.88564278925717e-04  -3.59907589363027e+01   4.35777892369094e+00 4.35777892369094e+00  7.47666071661888e+00 7.47666071661888e+00  3.89470781078821e-03 4.13550851319893e-03  8.08594031145714e-03 8.66277989454162e-03  1.37039187955905e-05 1.24211963905147e-05  2.00639164869224e-05 1.89110957344940e-05  2.29027731807219e-09 1.84448939664036e-09  2.70013028722157e-09 1.51994053582978e-09
-7.43217208604302e+00 5.91900455896101e-04  -3.59907589363027e+01   4.35777894704538e+00 4.35777894704538e+00  7.47666074415392e+00 7.47666074415392e+00  3.91678429565254e-03 4.15894994471507e-03  8.13177406487939e-03 8.71188338417199e-03  1.38597156232908e-05 1.25624102115059e-05  2.02920185396162e-05 1.91260915639140e-05  2.32944458173710e-09 1.87603299132640e-09  2.74630655557200e-09 1.54593374441683e-09
-7.42651975987994e+00 5.95255543420822e-04  -3.59907589363027e+01   4.35777897069560e+00 4.35777897069560e+00  7.47666077213833e+00 7.47666077213833e+00  3.93898591724847e-03 4.18252425007771e-03  8.17786761883317e-03 8.76126520859152e-03  1.40172836692686e-05 1.27052294595877e-05  2.05227138290816e-05 1.93435316274714e-05  2.36928166541306e-09 1.90811602942204e-09  2.79327250618752e-09 1.57237147412134e-09
-7.42086743371686e+00 5.98629648691156e-04  -3.59907589363027e+01   4.35777899464513e+00 4.35777899464513e+00  7.47666080057796e+00 7.47666080057796e+00  3.96131338489132e-03 4.20623218246116e-03  8.22422244595000e-03 8.81092694549530e-03  1.41766430700657e-05 1.28496723864568e-05  2.07560318371386e-05 1.95634437129954e-05  2.40980002403451e-09 1.94074773621999e-09  2.84104164377603e-09 1.59926132687363e-09
-7.41521510755378e+00 6.02022879505975e-04  -3.59907589363027e+01   4.35777901889756e+00 4.35777901889756e+00  7.47666082947876e+00 7.47666082947876e+00  3.98376741191701e-03 4.23007449930900e-03  8.27084002720874e-03 8.86087018152132e-03  1.43378141911508e-05 1.29957574513085e-05  2.09920023807774e-05 1.97858559242263e-05  2.45101130843230e-09 1.97393749477907e-09  2.88962770399490e-09 1.62661103460740e-09
-7.40956278139070e+00 6.05435344275189e-04  -3.59907589363027e+01   4.35777904345648e+00 4.35777904345648e+00  7.47666085884676e+00 7.47666085884676e+00  4.00634871570488e-03 4.25405196235827e-03  8.31772185198286e-03 8.91109651230122e-03  1.45008176295219e-05 1.31435033231950e-05  2.12306556159685e-05 2.00107966844069e-05  2.49292736868385e-09 2.00769484862228e-09  2.93904465740064e-09 1.65442846148272e-09
-7.40391045522761e+00 6.08867152023213e-04  -3.59907589363027e+01   4.35777906832557e+00 4.35777906832557e+00  7.47666088868804e+00 7.47666088868804e+00  4.02905801770059e-03 4.27816533766383e-03  8.36486941808807e-03 8.96160754251128e-03  1.46656742163384e-05 1.32929288834118e-05  2.14720220415161e-05 2.02382947399147e-05  2.53556025752054e-09 2.04202950448097e-09  2.98930671346595e-09 1.68272160614743e-09
-7.39825812906453e+00 6.12318412392447e-04  -3.59907589363027e+01   4.35777909350852e+00 4.35777909350852e+00  7.47666091900877e+00 7.47666091900877e+00  4.05189604343918e-03 4.30241539562280e-03  8.41228423183013e-03 9.01240488592361e-03  1.48324050195832e-05 1.34440532279103e-05  2.17161325029562e-05 2.04683791639358e-05  2.57892223379331e-09 2.07695133508585e-09  3.04042832466529e-09 1.71149860403675e-09
-7.39260580290145e+00 6.15789235646781e-04  -3.59907589363027e+01   4.35777911900908e+00 4.35777911900908e+00  7.47666094981519e+00 7.47666094981519e+00  4.07486352256825e-03 4.32680291099922e-03  8.45996780805300e-03 9.06349016545782e-03  1.50010313467553e-05 1.35968956697384e-05  2.19630181964981e-05 2.07010793601800e-05  2.62302576599773e-09 2.11247038200594e-09  3.09242419063090e-09 1.74076772971300e-09
-7.38695347673837e+00 6.19279732675118e-04  -3.59907589363027e+01   4.35777914483102e+00 4.35777914483102e+00  7.47666098111361e+00 7.47666098111361e+00  4.09796118887128e-03 4.35132866294876e-03  8.50792167018727e-03 9.11486501323281e-03  1.51715747475924e-05 1.37514757415082e-05  2.22127106730113e-05 2.09364250666383e-05  2.66788353585915e-09 2.14859685853589e-09  3.14530926237926e-09 1.77053739924443e-09
-7.38130115057529e+00 6.22790014994913e-04  -3.59907589363027e+01   4.35777917097819e+00 4.35777917097819e+00  7.47666101291042e+00 7.47666101291042e+00  4.12118978029103e-03 4.37599343504364e-03  8.55614735029871e-03 9.16653107061886e-03  1.53440570168251e-05 1.39078131978925e-05  2.24652418420573e-05 2.11744463593838e-05  2.71350844197920e-09 2.18534115263272e-09  3.19909874661012e-09 1.80081617262538e-09
-7.37564882441221e+00 6.26320194755743e-04  -3.59907589363027e+01   4.35777919745446e+00 4.35777919745446e+00  7.47666104521208e+00 7.47666104521208e+00  4.14455003895319e-03 4.40079801529767e-03  8.60464638913739e-03 9.21848998829023e-03  1.55185001969621e-05 1.40659280181491e-05  2.27206439759677e-05 2.14151736564143e-05  2.75991360354481e-09 2.22271382990277e-09  3.25380811007920e-09 1.83161275623729e-09
-7.36999649824912e+00 6.29870384742884e-04  -3.59907589363027e+01   4.35777922426374e+00 4.35777922426374e+00  7.47666107802516e+00 7.47666107802516e+00  4.16804271119002e-03 4.42574319619140e-03  8.65342033618676e-03 9.27074342627772e-03  1.56949265811071e-05 1.42258404086743e-05  2.29789497139678e-05 2.16586377215402e-05  2.80711236410045e-09 2.26072563663989e-09  3.30945308404548e-09 1.86293600535276e-09
-7.36434417208604e+00 6.33440698380914e-04  -3.59907589363027e+01   4.35777925141001e+00 4.35777925141001e+00  7.47666111135627e+00 7.47666111135627e+00  4.19166854756423e-03 4.45082977469746e-03  8.70247074971321e-03 9.32329305402184e-03  1.58733587158075e-05 1.43875708055847e-05  2.32401920663485e-05 2.19048696683157e-05  2.85511829538499e-09 2.29938750291531e-09  3.36604966879432e-09 1.89479492668100e-09
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3.72551975987994e+00 4.14927934304875e+01  -4.82011413245964e-01   4.55376828636397e-32 4.55376828636397e-32  -4.88123736225121e-32 -4.88123736225121e-32  1.78593677852815e-23 1.33104194423261e-26  -1.88035236167934e-23 -1.41063601518996e-26  2.65863155703446e-43 7.08010317673005e-45  -3.64238232557600e-43 -1.01995171522239e-44  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.73117208604302e+00 4.17279883052637e+01  -4.79294612878181e-01   3.15598221099572e-32 3.15598221099572e-32  -3.38293449577098e-32 -3.38293449577098e-32  1.38679564369910e-23 9.92225784175347e-27  -1.46011038382192e-23 -1.05155935193441e-26  1.60706347133932e-43 4.19519997266233e-45  -2.20171226413434e-43 -6.04356065316880e-45  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.73682441220610e+00 4.19645163423688e+01  -4.76593125434601e-01   2.18299072771267e-32 2.18299072771267e-32  -2.33997369962994e-32 -2.33997369962994e-32  1.07541977182282e-23 7.38503656280706e-27  -1.13227338527583e-23 -7.82665132011898e-27  9.68836115890794e-44 2.47892374932058e-45  -1.32732724303806e-43 -3.57111286986884e-45  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
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3.74812906453227e+00 4.24416021736198e+01  -4.71235744568578e-01   1.03831645545209e-32 1.03831645545209e-32  -1.11298396524461e-32 -1.11298396524461e-32  6.44101067587863e-24 4.07185669330880e-27  -6.78152587654148e-24 -4.31534905498389e-27  3.49291514619867e-44 8.58324396888482e-46  -4.78537563536240e-44 -1.23649465662079e-45  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.75378139069535e+00 4.26821752101219e+01  -4.68579679983835e-01   7.13971955176254e-33 7.13971955176254e-33  -7.65315247748369e-33 -7.65315247748369e-33  4.97459997536358e-24 3.01635779541295e-27  -5.23759156026113e-24 -3.19673293043906e-27  2.08879747191787e-44 5.02940585871238e-46  -2.86170251827126e-44 -7.24532144074236e-46  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.75943371685843e+00 4.29241118941521e+01  -4.65938585993234e-01   4.89968438916657e-33 4.89968438916657e-33  -5.25203197285084e-33 -5.25203197285084e-33  3.83679732971290e-24 2.23090953781962e-27  -4.03963739683713e-24 -2.36431595631249e-27  1.24572675974023e-44 2.93869293103331e-46  -1.70667607031878e-44 -4.23345910872306e-46  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
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3.77073836918459e+00 4.34121071670312e+01  -4.60700972750111e-01   2.29366384631316e-33 2.29366384631316e-33  -2.45860696705413e-33 -2.45860696705413e-33  2.27298908383262e-24 1.21448360467486e-27  -2.39315591564158e-24 -1.28710896618489e-27  4.39446171497319e-45 9.94765539159652e-47  -6.02052402818995e-45 -1.43305303341293e-46  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.77639069534767e+00 4.36581813467807e+01  -4.58104286161733e-01   1.56456849309105e-33 1.56456849309105e-33  -1.67708069819183e-33 -1.67708069819183e-33  1.74585824897656e-24 8.93912360748123e-28  -1.83815733866213e-24 -9.47367877062738e-28  2.59926089881222e-45 5.76284576189880e-47  -3.56105460259919e-45 -8.30192317865323e-47  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.78204302151075e+00 4.39056503563574e+01  -4.55522235490437e-01   1.06506154158728e-33 1.06506154158728e-33  -1.14165300607741e-33 -1.14165300607741e-33  1.33910589248552e-24 6.56889663761132e-28  -1.40990120941190e-24 -6.96171424324242e-28  1.53316150392661e-45 3.32889576107996e-47  -2.10047160429624e-45 -4.79559051590497e-47  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.78769534767384e+00 4.41545221021180e+01  -4.52954738242605e-01   7.23540133009486e-34 7.23540133009486e-34  -7.75571939826703e-34 -7.75571939826703e-34  1.02568092057953e-24 4.81926139546521e-28  -1.07990635628309e-24 -5.10745206994827e-28  9.01806332319307e-46 1.91735817172325e-47  -1.23549882863183e-45 -2.76213770638595e-47  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.79334767383692e+00 4.44048045352353e+01  -4.50401712389585e-01   4.90676118004616e-34 4.90676118004616e-34  -5.25962067655459e-34 -5.25962067655459e-34  7.84626772570729e-25 3.53052738155445e-28  -8.26108329998173e-25 -3.74165251834251e-28  5.29241965039283e-46 1.10175777271947e-47  -7.25075913832381e-46 -1.58718803585137e-47  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.79900000000000e+00 4.46565056519514e+01  -4.47863076365071e-01   3.69549813762802e-34 3.69549813762802e-34  -3.96125254843413e-34 -3.96125254843413e-34  6.05064597984333e-25 2.60912133939385e-28  -6.37053167919619e-25 -2.76514682785009e-28  3.59462677343487e-46 7.36727622910514e-48  -4.92473829972126e-46 -1.06132743545761e-47  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  4.73904169306079e-27
density.PCC>