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

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

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

 <<< Atom >>>
 AtomSpecies                 48
 max.ocupied.N               5
 total.electron              48.0000
 valence.electron            18.0000

 <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  0.0000  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                  4
 <pseudo.NandL
  0    4   1   1.3000
  1    4   2   1.3000
  2    4   3   1.3000
  3    5   0   2.0000
 pseudo.NandL>
 Blochl.projector.num        2
 local.type                  Polynomial
 local.part.vps              4
 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      -957.2736446248805     -957.2736446248805
 n=  2  l=  0      -141.9950835956488     -141.9950835956488
 n=  2  l=  1      -124.7459396421154     -131.4694492838066
 n=  3  l=  0       -26.4551845062991      -26.4551845062991
 n=  3  l=  1       -21.3934348728333      -22.6693422910656
 n=  3  l=  2       -14.5587461844985      -14.8148758932472
 n=  4  l=  0        -3.8034758149684       -3.8034758149684
 n=  4  l=  1        -2.3561095340576       -2.5757588371395
 n=  4  l=  2        -0.4393407822931       -0.4647149557858
 n=  5  l=  0        -0.2169708808315       -0.2169708808315


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

 Eeigen =    -3326.5072113074334
 Ekin   =     5805.7987918641111
 EHart  =     2274.3076758670722
 Exc    =     -117.0585456699741
 Eec    =   -13531.7964725569946
 Etot   = Ekin + EHart + Exc + Eec
 Etot   =    -5568.7485504957849


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

j.dependent.pseudo.potentials   on

<VPS> L=0, dif of log deris for all electrons =  506.2647851385  506.2647851385
<VPS> L=0, dif of log deris for semi local    =  155.5603710715  155.5603710715
<VPS> L=1, dif of log deris for all electrons = 17544.1786977164 11151.3878592290
<VPS> L=1, dif of log deris for semi local    = 1046.1946491224   37.8082156439
<VPS> L=2, dif of log deris for all electrons =  108.2826357386  923.6879401749
<VPS> L=2, dif of log deris for semi local    =   46.8961354799  471.3534100870
<VPS> L=3, dif of log deris for all electrons =    1.9535559087    1.3712130090
<VPS> L=3, dif of log deris for semi local    =    0.4197680105    0.4917008542

<project.energies
 8
 0    3.40082225715761e+00   3.40082225715761e+00
 0    3.37574195627290e+00   3.37574195627290e+00
 1    2.66132215031772e-01   2.52180989667879e-01
 1    7.84153973429296e-01   7.42696434702179e-01
 2    6.53470994044750e-01   6.37776689011699e-01
 2    1.85531696577679e+00   1.81087846832353e+00
 3    1.92662887135219e+00   1.93109499870698e+00
 3    7.71574032725419e+00   7.80897202344164e+00
project.energies>

<Pseudo.Potentials
-8.00000000000000e+00 3.35462627902512e-04  -4.42841108314122e+01   3.41073978214632e+00 3.41073978214632e+00  9.51018614181846e+00 9.51018614181846e+00  2.41853219092277e-02 2.57809400952555e-02  2.67731290172721e-02 2.79975280734962e-02  9.37445691313921e-06 9.53388113413770e-06  1.26100823102552e-05 1.27712947924192e-05  7.96732364828585e-10 7.83638477707368e-10  5.80081875653340e-10 5.49122282645412e-10
-7.99409754877439e+00 3.37448534795440e-04  -4.42841108314122e+01   3.41073978415317e+00 3.41073978415317e+00  9.51018614539748e+00 9.51018614539748e+00  2.43284966834601e-02 2.59335607701296e-02  2.69316233477814e-02 2.81632707212692e-02  9.48577720387529e-06 9.64709456347888e-06  1.27598251663813e-05 1.29229520220303e-05  8.10966030124544e-10 7.97638219985067e-10  5.90445065038014e-10 5.58932377288003e-10
-7.98819509754877e+00 3.39446198068541e-04  -4.42841108314122e+01   3.41073978618416e+00 3.41073978618416e+00  9.51018614902095e+00 9.51018614902095e+00  2.44725190381483e-02 2.60870849441612e-02  2.70910559487860e-02 2.83299945487301e-02  9.59841940627342e-06 9.76165238520645e-06  1.29113461961485e-05 1.30764101581572e-05  8.25453980542073e-10 8.11888068337044e-10  6.00993393198085e-10 5.68917729641670e-10
-7.98229264632316e+00 3.41455687318469e-04  -4.42841108314122e+01   3.41073978823955e+00 3.41073978823955e+00  9.51018615268941e+00 9.51018615268941e+00  2.46173939908772e-02 2.62415179659663e-02  2.72514323747423e-02 2.84977053643511e-02  9.71239921782705e-06 9.87757056376868e-06  1.30646665150854e-05 1.32316905862771e-05  8.40200758878213e-10 8.26392490901734e-10  6.11730167629806e-10 5.79081470677712e-10
-7.97639019509755e+00 3.43477072553882e-04  -4.42841108314122e+01   3.41073979031965e+00 3.41073979031965e+00  9.51018615640339e+00 9.51018615640339e+00  2.47631265889353e-02 2.63968652158238e-02  2.74127582129883e-02 2.86664090109894e-02  9.82773252243467e-06 9.99486525318889e-06  1.32198074894634e-05 1.33888149458159e-05  8.55210989132810e-10 8.41156035685848e-10  6.22658754951055e-10 5.89426787333660e-10
-7.97048774387194e+00 3.45510424197887e-04  -4.42841108314122e+01   3.41073979242475e+00 3.41073979242475e+00  9.51018616016346e+00 9.51018616016346e+00  2.49097219094901e-02 2.65531321058633e-02  2.75750390839384e-02 2.88361113660912e-02  9.94443539261340e-06 1.01135527993168e-05  1.33767907392749e-05 1.35478051331640e-05  8.70489377845165e-10 8.56183331879056e-10  6.33782581874494e-10 5.99956923434497e-10
-7.96458529264632e+00 3.47555813090484e-04  -4.42841108314122e+01   3.41073979455515e+00 3.41073979455515e+00  9.51018616397016e+00 9.51018616397016e+00  2.50571850597656e-02 2.67103240802536e-02  2.77382806412789e-02 2.90068183418962e-02  1.00625240917388e-05 1.02336497421061e-05  1.35356381412457e-05 1.37086833047274e-05  8.86040715728953e-10 8.71479091462036e-10  6.45105136397956e-10 6.10675180819496e-10
-7.95868284142071e+00 3.49613310491041e-04  -4.42841108314122e+01   3.41073979671116e+00 3.41073979671116e+00  9.51018616782407e+00 9.51018616782407e+00  2.52055211772195e-02 2.68684466153917e-02  2.79024885721651e-02 2.91785358856437e-02  1.01820150763110e-05 1.03551728179197e-05  1.36963718318841e-05 1.38714718800159e-05  9.01869878968058e-10 8.87048110481018e-10  6.56629968747867e-10 6.21584920235330e-10
-7.95278039019510e+00 3.51682988080777e-04  -4.42841108314122e+01   3.41073979889307e+00 3.41073979889307e+00  9.51018617172576e+00 9.51018617172576e+00  2.53547354297229e-02 2.70275052200948e-02  2.80676685974193e-02 2.93512699797797e-02  1.03029249982487e-05 1.04781389618622e-05  1.38590142105654e-05 1.40361935447665e-05  9.17981831000343e-10 9.02895270802228e-10  6.68360692677960e-10 6.32689562565424e-10
-7.94687793896949e+00 3.53764917965253e-04  -4.42841108314122e+01   3.41073980110119e+00 3.41073980110119e+00  9.51018617567580e+00 9.51018617567580e+00  2.55048330157398e-02 2.71875054357907e-02  2.82338264717306e-02 2.95250266421653e-02  1.04252707072090e-05 1.06025653101392e-05  1.40235879426537e-05 1.42028712541058e-05  9.34381623769355e-10 9.19025541343026e-10  6.80300986380632e-10 6.43992589692694e-10
-7.94097548774387e+00 3.55859172676891e-04  -4.42841108314122e+01   3.41073980333585e+00 3.41073980333585e+00  9.51018617967480e+00 9.51018617967480e+00  2.56558191645085e-02 2.73484528367125e-02  2.84009679838546e-02 2.96998119262867e-02  1.05490692529357e-05 1.07284692024462e-05  1.41901159626601e-05 1.43715282357481e-05  9.51074399664171e-10 9.35443979979886e-10  6.92454593899249e-10 6.55497545836498e-10
-7.93507303651826e+00 3.57965825177497e-04  -4.42841108314122e+01   3.41073980559736e+00 3.41073980559736e+00  9.51018618372332e+00 9.51018618372332e+00  2.58076991362234e-02 2.75103530300913e-02  2.85690989568156e-02 2.98756319214652e-02  1.06743378876356e-05 1.08558681843844e-05  1.43586214774391e-05 1.45421879932330e-05  9.68065392723522e-10 9.52155734732700e-10  7.04825326004879e-10 6.67208038382520e-10
-7.92917058529265e+00 3.60084948860805e-04  -4.42841108314122e+01   3.41073980788603e+00 3.41073980788603e+00  9.51018618782198e+00 9.51018618782198e+00  2.59604782222190e-02 2.76732116563527e-02  2.87382252481094e-02 3.00524927530706e-02  1.08010940683825e-05 1.09847800099061e-05  1.45291279694223e-05 1.47148743092001e-05  9.85359930739226e-10 9.69166045833680e-10  7.17417061727711e-10 6.79127739332524e-10
-7.92326813406703e+00 3.62216617555030e-04  -4.42841108314122e+01   3.41073981020219e+00 3.41073981020219e+00  9.51018619197139e+00 9.51018619197139e+00  2.61141617451534e-02 2.78370343893123e-02  2.89083527499073e-02 3.02304005827334e-02  1.09293554595498e-05 1.11152226437885e-05  1.47016591998913e-05 1.48896112487040e-05  1.00296343640909e-09 9.86480246861283e-10  7.30233749196453e-10 6.91260386098899e-10
-7.91736568284142e+00 3.64360905525447e-04  -4.42841108314122e+01   3.41073981254617e+00 3.41073981254617e+00  9.51018619617214e+00 9.51018619617214e+00  2.62687550591941e-02 2.80018269363743e-02  2.90794873892611e-02 3.04093616085602e-02  1.10591399352722e-05 1.12472142641378e-05  1.48762392122883e-05 1.50664231625671e-05  1.02088142961177e-09 1.00410376697768e-09  7.43279407294607e-10 7.03609783072549e-10
-7.91146323161581e+00 3.66517887476971e-04  -4.42841108314122e+01   3.41073981491831e+00 3.41073981491831e+00  9.51018620042487e+00 9.51018620042487e+00  2.64242635502049e-02 2.81675950387298e-02  2.92516351283102e-02 3.05893820653494e-02  1.11904655819370e-05 1.13807732649217e-05  1.50528923355675e-05 1.52453346907739e-05  1.03911952850469e-09 1.02204213200867e-09  7.56558126459833e-10 7.16179802379591e-10
-7.90556078039020e+00 3.68687638556765e-04  -4.42841108314122e+01   3.41073981731893e+00 3.41073981731893e+00  9.51018620473021e+00 9.51018620473021e+00  2.65806926359327e-02 2.83343444715567e-02  2.94248019644887e-02 3.07704682248084e-02  1.13233507007039e-05 1.15159182585332e-05  1.52316431875848e-05 1.54263707659038e-05  1.05768345197837e-09 1.04030096685765e-09  7.70074070470862e-10 7.28974385572944e-10
-7.89965832916458e+00 3.70870234356855e-04  -4.42841108314122e+01   3.41073981974838e+00 3.41073981974838e+00  9.51018620908879e+00 9.51018620908879e+00  2.67380477661970e-02 2.85020810442214e-02  2.95989939307347e-02 3.09526263957721e-02  1.14578138100560e-05 1.16526680783843e-05  1.54125166785288e-05 1.56095566166066e-05  1.07657902069553e-09 1.05888599652760e-09  7.83831477204009e-10 7.41997544348395e-10
-7.89375587793897e+00 3.73065750916766e-04  -4.42841108314122e+01   3.41073982220700e+00 3.41073982220700e+00  9.51018621350125e+00 9.51018621350125e+00  2.68963344230793e-02 2.86708106004807e-02  2.97742170957005e-02 3.11358629244227e-02  1.15938736483797e-05 1.17910417815304e-05  1.55955380143921e-05 1.57949177711175e-05  1.09581215973327e-09 1.07780304871993e-09  7.97834660556962e-10 7.55253362365744e-10
-7.88785342671336e+00 3.75274264726168e-04  -4.42841108314122e+01   3.41073982469514e+00 3.41073982469514e+00  9.51018621796825e+00 9.51018621796825e+00  2.70555581211144e-02 2.88405390186857e-02  2.99504775639635e-02 3.13201841945105e-02  1.17315491765770e-05 1.19310586513262e-05  1.57807327004839e-05 1.59824800608147e-05  1.11538889955925e-09 1.09705805479454e-09  8.12088011159377e-10 7.68745995921493e-10
-7.88195097548774e+00 3.77495852727544e-04  -4.42841108314122e+01   3.41073982721313e+00 3.41073982721313e+00  9.51018622249027e+00 9.51018622249027e+00  2.72157244074821e-02 2.90112722119861e-02  3.01277814762386e-02 3.15055966275759e-02  1.18708595807067e-05 1.20727382001124e-05  1.59681265449838e-05 1.61722696238190e-05  1.13531537887036e-09 1.11665705256185e-09  8.26595998439512e-10 7.82479675905139e-10
-7.87604852426213e+00 3.79730592318868e-04  -4.42841108314122e+01   3.41073982974376e+00 3.41073982974376e+00  9.51018622695216e+00 9.51018622695216e+00  2.73768388620040e-02 2.91830161283173e-02  3.03061350089155e-02 3.16921066824212e-02  1.20118242745226e-05 1.22161001717946e-05  1.61577456620145e-05 1.63643129080939e-05  1.15559784541738e-09 1.13660618709225e-09  8.41363171054457e-10 7.96458708197698e-10
-7.87014607303652e+00 3.81978561356304e-04  -4.42841108314122e+01   3.41073983230287e+00 3.41073983230287e+00  9.51018623145669e+00 9.51018623145669e+00  2.75389070979025e-02 2.93557767512372e-02  3.04855443762185e-02 3.18797208574962e-02  1.21544629025685e-05 1.23611645449975e-05  1.63496164767797e-05 1.65586366766825e-05  1.17624265928995e-09 1.15691171395188e-09  8.56394159766675e-10 8.10687476419687e-10
-7.86424362181091e+00 3.84239838156917e-04  -4.42841108314122e+01   3.41073983489284e+00 3.41073983489284e+00  9.51018623601776e+00 9.51018623601776e+00  2.77019347614798e-02 2.95295600995585e-02  3.06660158286433e-02 3.20684456891473e-02  1.22987953425605e-05 1.25079515354819e-05  1.65437657278817e-05 1.67552680100243e-05  1.19725629353602e-09 1.17757999980751e-09  8.71693677455526e-10 8.25170441919367e-10
-7.85834117058529e+00 3.86514501501398e-04  -4.42841108314122e+01   3.41073983751402e+00 3.41073983751402e+00  9.51018624063603e+00 9.51018624063603e+00  2.78659275324409e-02 2.97043722276993e-02  3.08475556536099e-02 3.22582877523291e-02  1.24448417082435e-05 1.26564815990512e-05  1.67402204713790e-05 1.69542343100722e-05  1.21864533747385e-09 1.19861752568523e-09  8.87266521634504e-10 8.39912146161143e-10
-7.85243871935968e+00 3.88802630636819e-04  -4.42841108314122e+01   3.41073984016679e+00 3.41073984016679e+00  9.51018624531221e+00 9.51018624531221e+00  2.80308911241138e-02 2.98802192259188e-02  3.10301701757591e-02 3.24492536609187e-02  1.25926223522099e-05 1.28067754344178e-05  1.69390080846157e-05 1.71555633041723e-05  1.24041649746302e-09 1.22003088772887e-09  9.03117575031718e-10 8.54917211276002e-10
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3.66324362181091e+00 3.89875990235797e+01  -4.61685265343014e-01   2.87435477929677e-16 2.87435477929677e-16  -2.93009622778464e-16 -2.93009622778464e-16  1.63085287800951e-40 4.56391538735830e-42  -2.01025873895385e-40 -5.75181505034383e-42  1.84181758608431e-21 6.97473385902116e-22  -2.12800994185599e-21 -8.11024256774382e-22  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
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3.68095097548774e+00 3.96841147543922e+01  -4.53581996492939e-01   1.76910765759754e-16 1.76910765759754e-16  -1.80341592079527e-16 -1.80341592079527e-16  3.78358965374769e-41 9.95743820522710e-43  -4.66381476008587e-41 -1.25491710768683e-42  9.41856886466389e-22 3.50458271967728e-22  -1.08820850296681e-21 -4.07514138303055e-22  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.68685342671336e+00 3.99190409443027e+01  -4.50912636540580e-01   1.50221997554967e-16 1.50221997554967e-16  -1.53135263788088e-16 -1.53135263788088e-16  2.31251241819941e-41 5.96128405633258e-43  -2.85050210608735e-41 -7.51289408995093e-43  7.51343924685304e-22 2.77918969480996e-22  -8.68092550651111e-22 -3.23165216452652e-22  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.69275587793897e+00 4.01553578749428e+01  -4.48258985895391e-01   1.27446996566878e-16 1.27446996566878e-16  -1.29918597819172e-16 -1.29918597819172e-16  1.40958332548824e-41 3.55885520096958e-43  -1.73751305113451e-41 -4.48515853213869e-43  5.98628841598759e-22 2.20115437560092e-22  -6.91647704527396e-22 -2.55951084835957e-22  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.69865832916458e+00 4.03930737793655e+01  -4.45620952213871e-01   1.08029067503079e-16 1.08029067503079e-16  -1.10124103911706e-16 -1.10124103911706e-16  8.56890935918944e-42 2.11865997299859e-43  -1.05624070384049e-41 -2.67010765219170e-43  4.76364470391137e-22 1.74112964733762e-22  -5.50385162164917e-22 -2.02459255593483e-22  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.70456078039020e+00 4.06321969393626e+01  -4.42998443477926e-01   9.14879730090347e-17 9.14879730090347e-17  -9.32622322935040e-17 -9.32622322935040e-17  5.19486001173347e-42 1.25769934218092e-43  -6.40340879904910e-42 -1.58505513347073e-43  3.78599449083158e-22 1.37548508754366e-22  -4.37428811395250e-22 -1.59941978493112e-22  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.71046323161581e+00 4.08727356857536e+01  -4.40391368437785e-01   7.74101476283655e-17 7.74101476283655e-17  -7.89113978951622e-17 -7.89113978951622e-17  3.14078576208331e-42 7.44492809450162e-44  -3.87146842547026e-42 -9.38270530733461e-44  3.00522820197166e-22 1.08523252032674e-22  -3.47220145108702e-22 -1.26191304348971e-22  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.71636568284142e+00 4.11146983986754e+01  -4.37799636145342e-01   6.54394453619801e-17 6.54394453619801e-17  -6.67085485063440e-17 -6.67085485063440e-17  1.89366433831233e-42 4.39435333960622e-44  -2.33421275115900e-42 -5.53812268591709e-44  2.38247126859118e-22 8.55120977344689e-23  -2.75267654125866e-22 -9.94338470263163e-23  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.72226813406703e+00 4.13580935078746e+01  -4.35223156431437e-01   5.52697244333779e-17 5.52697244333779e-17  -5.63416057613454e-17 -5.63416057613454e-17  1.13860164808652e-42 2.58633698009903e-44  -1.40348983965391e-42 -3.25951314190627e-44  1.88637798128406e-22 6.72927483335229e-23  -2.17949701847433e-22 -7.82483159301393e-23  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.72817058529265e+00 4.16029294930012e+01  -4.32661839405675e-01   4.66378109946634e-17 4.66378109946634e-17  -4.75422924108997e-17 -4.75422924108997e-17  6.82696069798450e-43 1.51779123771908e-44  -8.41520878860519e-43 -1.91284463430380e-44  1.49168230488398e-22 5.28859703953039e-23  -1.72347087784916e-22 -6.14960558367336e-23  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.73407303651826e+00 4.18492148839037e+01  -4.30115595966549e-01   3.93178992831120e-17 3.93178992831120e-17  -4.00804238975019e-17 -4.00804238975019e-17  4.08201860517279e-43 8.88141396827379e-45  -5.03167405994432e-43 -1.11930848951025e-44  1.17806372047682e-22 4.15090176343661e-23  -1.36112008794118e-22 -4.82668871733796e-23  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.73997548774387e+00 4.20969582609267e+01  -4.27584337269235e-01   3.31162211421593e-17 3.31162211421593e-17  -3.37584745165834e-17 -3.37584745165834e-17  2.43386089489370e-43 5.18173050528237e-45  -3.00008321824494e-43 -6.53044137641109e-45  9.29183968299469e-23 3.25364117623088e-23  -1.07356765895105e-22 -3.78335019355603e-23  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.74587793896948e+00 4.23461682552095e+01  -4.25067975267078e-01   2.78668315968901e-17 2.78668315968901e-17  -2.84072812729632e-17 -2.84072812729632e-17  1.44709244354465e-43 3.01438034170686e-45  -1.78374944943020e-43 -3.79896935457199e-45  7.31936867246916e-23 2.54695100374899e-23  -8.45670896136524e-23 -2.96160767893454e-23  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.75178039019510e+00 4.25968535489871e+01  -4.22566422148826e-01   2.34275862137819e-17 2.34275862137819e-17  -2.38819432391281e-17 -2.38819432391281e-17  8.57938667566195e-44 1.74835485520860e-45  -1.05753279931377e-43 -2.20342033657169e-45  5.75811374040451e-23 1.99108930844380e-23  -6.65285488371717e-23 -2.31524911842631e-23  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.75768284142071e+00 4.28490228758921e+01  -4.20079590910029e-01   1.96769803458029e-17 1.96769803458029e-17  -2.00585995114417e-17 -2.00585995114417e-17  5.07205109252682e-44 1.01106461349026e-45  -6.25203284346037e-44 -1.27422672124513e-45  4.52397881230642e-23 1.55445839545486e-23  -5.22695092557340e-23 -1.80753260412772e-23  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.76358529264632e+00 4.31026850212599e+01  -4.17607394761143e-01   1.65111252332025e-17 1.65111252332025e-17  -1.68313466748684e-17 -1.68313466748684e-17  2.98989882440775e-44 5.82937530943531e-46  -3.68548078006238e-44 -7.34665832918910e-46  3.54969259941360e-23 1.21194120781683e-23  -4.10127276838088e-23 -1.40925193221906e-23  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.76948774387194e+00 4.33578488224340e+01  -4.15149747727427e-01   1.38413858202503e-17 1.38413858202503e-17  -1.41098308149752e-17 -1.41098308149752e-17  1.75745507442543e-44 3.35096576924621e-46  -2.16631654826989e-44 -4.22316300508737e-46  2.78157608108017e-23 9.43622326087429e-24  -3.21380040446945e-23 -1.09724937857581e-23  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.77539019509755e+00 4.36145231690739e+01  -4.12706564029317e-01   1.15921164949563e-17 1.15921164949563e-17  -1.18169393510601e-17 -1.18169393510601e-17  1.03001370716325e-44 1.92042212980335e-46  -1.26964035044223e-44 -2.42027426285319e-46  2.17680139233933e-23 7.33713283066131e-24  -2.51505109688923e-23 -8.53166052153017e-24  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.78129264632316e+00 4.38727170034656e+01  -4.10277758709438e-01   9.69890143772352e-18 9.69890143772352e-18  -9.88700726321546e-18 -9.88700726321546e-18  6.01925512895495e-45 1.09727117481731e-46  -7.41959996001722e-45 -1.38287166657462e-46  1.70128614191792e-23 5.69729936458100e-24  -1.96564650585011e-23 -6.62485341866361e-24  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.78719509754877e+00 4.41324393208320e+01  -4.07863246986609e-01   8.10688542323553e-18 8.10688542323553e-18  -8.26411552619158e-18 -8.26411552619158e-18  3.50728034356302e-45 6.25038840231530e-47  -4.32322905869095e-45 -7.87725565628010e-47  1.32791570356599e-23 4.41804173571846e-24  -1.53425875023573e-23 -5.13732564942668e-24  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.79309754877439e+00 4.43936991696472e+01  -4.05462944908632e-01   6.76703708592321e-18 6.76703708592321e-18  -6.89828190633703e-18 -6.89828190633703e-18  2.04095209863821e-45 3.55578571896290e-47  -2.51576808562366e-45 -4.48129509871716e-47  1.03476795343313e-23 3.42021497040127e-24  -1.19555929368005e-23 -3.97704709268539e-24  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.79900000000000e+00 4.46565056519514e+01  -4.03076768674834e-01   5.69383568642006e-18 5.69383568642006e-18  -5.80426655485453e-18 -5.80426655485453e-18  1.47157391374506e-45 2.52764136921362e-47  -1.81392738886541e-45 -3.18554279580168e-47  8.14522765087091e-24 2.67493440793063e-24  -9.41090574305617e-24 -3.11043059390713e-24  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  2.54102028771873e-33
density.PCC>