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

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

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

 <<< Atom >>>
 AtomSpecies                 86
 max.ocupied.N               6
 total.electron              86.0000
 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  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 
 ocupied.electrons>

 <<< parameters for solving 1D-differential equations >>>
 grid.xmin                   -8.000
 grid.xmax                    3.800
 grid.num                    12000
 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                  4
 <pseudo.NandL
  0    5   2   1.5000
  1    5   3   1.5000
  2    6   0   1.7000
  3    6   1   1.8000
 pseudo.NandL>
 Blochl.projector.num        2
 local.type                  Polynomial
 local.part.vps              4
 local.cutoff                1.50000
 local.origin.ratio          2.70000
 log.deri.RadF.calc          ON
 log.deri.MinE               -3.30000
 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     -3569.1342142165595    -3569.1342142165595
 n=  2  l=  0      -649.6610367769540     -649.6610367769540
 n=  2  l=  1      -530.4326394497753     -630.8233058668277
 n=  3  l=  0      -159.1584048412267     -159.1584048412267
 n=  3  l=  1      -126.8514271295410     -149.5740989285634
 n=  3  l=  2      -103.4883333289377     -108.2435467876810
 n=  4  l=  0       -37.7548096053846      -37.7548096053846
 n=  4  l=  1       -27.5880294146111      -33.3107046514630
 n=  4  l=  2       -18.4624468661069      -19.5288925201365
 n=  4  l=  3        -7.6206523163807       -7.8757434236296
 n=  5  l=  0        -7.1921292878372       -7.1921292878372
 n=  5  l=  1        -4.3249445015678       -5.5279035691455
 n=  5  l=  2        -1.5915225691581       -1.7533776771639
 n=  6  l=  0        -0.7666124224254       -0.7666124224254
 n=  6  l=  1        -0.2445428885073       -0.3742614654323


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

 Eeigen =   -14748.3053568230735
 Ekin   =    27859.9815518049254
 EHart  =     9050.4096388370926
 Exc    =     -414.8572660814656
 Eec    =   -60158.1998047795641
 Etot   = Ekin + EHart + Exc + Eec
 Etot   =   -23662.6658802190104


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

j.dependent.pseudo.potentials   on

<VPS> L=0, dif of log deris for all electrons =    2.2872232044    2.2872232044
<VPS> L=0, dif of log deris for semi local    =    1.2410758379    1.2410758379
<VPS> L=1, dif of log deris for all electrons =   14.1307153597    5.3366782989
<VPS> L=1, dif of log deris for semi local    =    2.0222417768    3.1185352986
<VPS> L=2, dif of log deris for all electrons =  856.7437430118 7740.7118062506
<VPS> L=2, dif of log deris for semi local    =    2.0134045957  124.4073340524
<VPS> L=3, dif of log deris for all electrons =    0.6281720776    0.0704091646
<VPS> L=3, dif of log deris for semi local    =    0.0247566880    0.0054479166

<project.energies
 8
 0    1.11794426801553e+00   1.11794426801553e+00
 0    2.08484871494622e+00   2.08484871494622e+00
 1    2.33026749922454e+00   1.87421121583793e+00
 1    5.93906191039813e+00   3.20949851317456e+00
 2    1.09665465729592e+00   1.19058932107837e+00
 2    3.09270486685087e+00   3.22829024637843e+00
 3    3.07944308841672e+00   3.26214899621638e+00
 3    9.30235960769202e+00   1.06471630935272e+01
project.energies>

<Pseudo.Potentials
-8.00000000000000e+00 3.35462627902512e-04  -3.24069560731284e+01   3.44820432360963e+00 3.44820432360963e+00  6.01822653059119e+00 6.01822653059119e+00  2.08868231519566e-03 1.76857003626520e-03  3.06911865339106e-03 3.73519191684682e-03  3.44444226226094e-06 3.16215271739868e-06  4.03777708333881e-06 3.66387965315933e-06  3.21818546207521e-10 2.88100025415510e-10  3.90974705437643e-10 3.15360200384524e-10
-7.99409754877439e+00 3.37448534795440e-04  -3.24069560731284e+01   3.44820433033089e+00 3.44820433033089e+00  6.01822654266965e+00 6.01822654266965e+00  2.10104711404828e-03 1.77903980334765e-03  3.08728754156327e-03 3.75730389940440e-03  3.48534450845789e-06 3.19970281636142e-06  4.08572509474798e-06 3.70738768725185e-06  3.27567852651064e-10 2.93246948598519e-10  3.97959490941869e-10 3.20994128507313e-10
-7.98819509754877e+00 3.39446198068541e-04  -3.24069560731284e+01   3.44820433713200e+00 3.44820433713200e+00  6.01822655489168e+00 6.01822655489168e+00  2.11348511129890e-03 1.78957155046492e-03  3.10556398777897e-03 3.77954678281995e-03  3.52673246273649e-06 3.23769881714879e-06  4.13424248168314e-06 3.75141237279570e-06  3.33419870769937e-10 2.98485821847179e-10  4.05069060034262e-10 3.26728707077204e-10
-7.98229264632316e+00 3.41455687318469e-04  -3.24069560731284e+01   3.44820434401390e+00 3.44820434401390e+00  6.01822656725899e+00 6.01822656725899e+00  2.12599674027441e-03 1.80016564453309e-03  3.12394862877070e-03 3.80192134201449e-03  3.56861189280582e-06 3.27614601477646e-06  4.18333600539218e-06 3.79595984494838e-06  3.39376435513627e-10 3.03818287854264e-10  4.12305641980545e-10 3.32565734220098e-10
-7.97639019509755e+00 3.43477072553882e-04  -3.24069560731284e+01   3.44820435097755e+00 3.44820435097755e+00  6.01822657977330e+00 6.01822657977330e+00  2.13858243686698e-03 1.81082245464034e-03  3.14244210504034e-03 3.82442835649651e-03  3.61098863486550e-06 3.31504976713753e-06  4.23301250741170e-06 3.84103631172132e-06  3.45439414613073e-10 3.09246018659325e-10  4.19671505872371e-10 3.38507040185481e-10
-7.97048774387194e+00 3.45510424197887e-04  -3.24069560731284e+01   3.44820435802392e+00 3.44820435802392e+00  6.01822659243634e+00 6.01822659243634e+00  2.15124263954917e-03 1.82154235205980e-03  3.16104506088153e-03 3.84706861038915e-03  3.65386859441914e-06 3.35441549574921e-06  4.28327891052052e-06 3.88664805484516e-06  3.51610709166330e-10 3.14770716172991e-10  4.27168961338858e-10 3.44554487920373e-10
-7.96458529264632e+00 3.47555813090484e-04  -3.24069560731284e+01   3.44820436515400e+00 3.44820436515400e+00  6.01822660524990e+00 6.01822660524990e+00  2.16397778938927e-03 1.83232571026254e-03  3.17975814440200e-03 3.86984289245745e-03  3.69725774709721e-06 3.39424868650836e-06  4.33414221970430e-06 3.93280143064507e-06  3.57892254234652e-10 3.20394112710605e-10  4.34800359270760e-10 3.50709973653442e-10
-7.95868284142071e+00 3.49613310491041e-04  -3.24069560731284e+01   3.44820437236878e+00 3.44820437236878e+00  6.01822661821575e+00 6.01822661821575e+00  2.17678833006662e-03 1.84317290493051e-03  3.19858200754622e-03 3.89275199613591e-03  3.74116213948981e-06 3.43455489045592e-06  4.38560952313182e-06 3.97950287092653e-06  3.64286019449259e-10 3.26117971535403e-10  4.42568092557618e-10 3.56975427489567e-10
-7.95278039019510e+00 3.51682988080777e-04  -3.24069560731284e+01   3.44820437966926e+00 3.44820437966926e+00  6.01822663133570e+00 6.01822663133570e+00  2.18967470788712e-03 1.85408431396969e-03  3.21751730611809e-03 3.91579671955607e-03  3.78558788998936e-06 3.47533972455060e-06  4.43768799314271e-06 4.02675888387174e-06  3.70794009628932e-10 3.31944087411408e-10  4.50474596838084e-10 3.63352814015073e-10
-7.94687793896949e+00 3.53764917965253e-04  -3.24069560731284e+01   3.44820438705647e+00 3.44820438705647e+00  6.01822664461159e+00 6.01822664461159e+00  2.20263737179870e-03 1.86506031752321e-03  3.23656469980379e-03 3.93897786557433e-03  3.83054118964315e-06 3.51660887245151e-06  4.49038488724701e-06 4.07457605494648e-06  3.77418265408629e-10 3.37874287166190e-10  4.58522351263607e-10 3.69844132913719e-10
-7.94097548774387e+00 3.55859172676891e-04  -3.24069560731284e+01   3.44820439453142e+00 3.44820439453142e+00  6.01822665804526e+00 6.01822665804526e+00  2.21567677340705e-03 1.87610129798463e-03  3.25572485219476e-03 3.96229624179998e-03  3.87602830301618e-06 3.55836808531033e-06  4.54370754913650e-06 4.12296104781790e-06  3.84160863879357e-10 3.43910430263680e-10  4.66713879275827e-10 3.76451419593726e-10
-7.93507303651826e+00 3.57965825177497e-04  -3.24069560731284e+01   3.44820440209517e+00 3.44820440209517e+00  6.01822667163859e+00 6.01822667163859e+00  2.22879336699128e-03 1.88720764001125e-03  3.27499843081081e-03 3.98575266062323e-03  3.92205556906410e-06 3.60062318257270e-06  4.59766340970814e-06 4.17192060528311e-06  3.91023919239446e-10 3.50054409387220e-10  4.75051749397783e-10 3.83176745825992e-10
-7.92917058529265e+00 3.60084948860805e-04  -3.24069560731284e+01   3.44820440974876e+00 3.44820440974876e+00  6.01822668539346e+00 6.01822668539346e+00  2.24198760951978e-03 1.89837973053749e-03  3.29438610712342e-03 4.00934793924362e-03  3.96862940201665e-06 3.64338005278921e-06  4.65225998809958e-06 4.22146155020884e-06  3.98009583457486e-10 3.56308151033034e-10  4.83538576039325e-10 3.90022220393712e-10
-7.92326813406703e+00 3.62216617555030e-04  -3.24069560731284e+01   3.44820441749327e+00 3.44820441749327e+00  6.01822669931181e+00 6.01822669931181e+00  2.25525996066616e-03 1.90961795878840e-03  3.31388855657907e-03 4.03308289969839e-03  4.01575629227149e-06 3.68664465443605e-06  4.70750489273706e-06 4.27159078648231e-06  4.05120046947085e-10 3.62673616114294e-10  4.92177020316876e-10 3.96989989753619e-10
-7.91736568284142e+00 3.64360905525447e-04  -3.24069560731284e+01   3.44820442532978e+00 3.44820442532978e+00  6.01822671339556e+00 6.01822671339556e+00  2.26861088282520e-03 1.92092271629320e-03  3.33350645862281e-03 4.05695836889122e-03  4.06344280729867e-06 3.73042301674529e-06  4.76340582239560e-06 4.32231529997325e-06  4.12357539253695e-10 3.69152800575973e-10  5.00969790887840e-10 4.04082238708991e-10
-7.91146323161581e+00 3.66517887476971e-04  -3.24069560731284e+01   3.44820443325937e+00 3.44820443325937e+00  6.01822672764668e+00 6.01822672764668e+00  2.28204084112904e-03 1.93229439689895e-03  3.35324049672191e-03 4.08097517862097e-03  4.11169559255591e-06 3.77472124054516e-06  4.81997056727199e-06 4.37364215950748e-06  4.19724329753703e-10 3.75747736020702e-10  5.09919644799920e-10 4.11301191094754e-10
-7.90556078039020e+00 3.68687638556765e-04  -3.24069560731284e+01   3.44820444128315e+00 3.44820444128315e+00  6.01822674206717e+00 6.01822674206717e+00  2.29555030346331e-03 1.94373339678421e-03  3.37309135838969e-03 4.10513416561067e-03  4.16052137241460e-06 3.81954549911022e-06  4.87720701007030e-06 4.42557851785196e-06  4.27222728366015e-10 3.82460490345788e-10  5.19029388355641e-10 4.18649110474757e-10
-7.89965832916458e+00 3.70870234356855e-04  -3.24069560731284e+01   3.44820444940223e+00 3.44820444940223e+00  6.01822675665902e+00 6.01822675665902e+00  2.30913974048348e-03 1.95524011447293e-03  3.39305973520948e-03 4.12943617153670e-03  4.20992695109696e-06 3.86490203902163e-06  4.93512312710047e-06 4.47813161271165e-06  4.34855086276344e-10 3.89293168391619e-10  5.28301877992250e-10 4.26128300851533e-10
-7.89375587793897e+00 3.73065750916766e-04  -3.24069560731284e+01   3.44820445761777e+00 3.44820445761777e+00  6.01822677142428e+00 6.01822677142428e+00  2.32280962563124e-03 1.96681495084826e-03  3.41314632285867e-03 4.15388204305806e-03  4.25991921362423e-06 3.91079718103768e-06  4.99372698938981e-06 4.53130876773804e-06  4.42623796674446e-10 3.96247912601663e-10  5.37740021177409e-10 4.33741107388766e-10
-7.88785342671336e+00 3.75274264726168e-04  -3.24069560731284e+01   3.44820446593088e+00 3.44820446593088e+00  6.01822678636500e+00 6.01822678636500e+00  2.33656043515099e-03 1.97845830916654e-03  3.43335182113299e-03 4.17847263184593e-03  4.31050512677612e-06 3.95723732097458e-06  5.05302676380781e-06 4.58511739354982e-06  4.50531295504528e-10 4.03326903694233e-10  5.47346777320842e-10 4.41489917146599e-10
-7.88195097548774e+00 3.77495852727544e-04  -3.24069560731284e+01   3.44820447434274e+00 3.44820447434274e+00  6.01822680148326e+00 6.01822680148326e+00  2.35039264810644e-03 1.99017059507136e-03  3.45367693397088e-03 4.20320879461331e-03  4.36169174006171e-06 4.00422893059784e-06  5.11303071420416e-06 4.63956498876552e-06  4.58580062229049e-10 4.10532361346278e-10  5.57125158702269e-10 4.49377159830120e-10
-7.87604852426213e+00 3.79730592318868e-04  -3.24069560731284e+01   3.44820448285452e+00 3.44820448285452e+00  6.01822681678118e+00 6.01822681678118e+00  2.36430674639730e-03 2.00195221660770e-03  3.47412236947798e-03 4.22809139314485e-03  4.41348618670182e-06 4.05177855852407e-06  5.17374720256044e-06 4.69465914104863e-06  4.66772620606185e-10 4.17866544889386e-10  5.67078231415962e-10 4.57405308551263e-10
-7.87014607303652e+00 3.81978561356304e-04  -3.24069560731284e+01   3.44820449146741e+00 3.44820449146741e+00  6.01822683226088e+00 6.01822683226088e+00  2.37830321477605e-03 2.01380358423611e-03  3.49468883995185e-03 4.25312129432691e-03  4.46589568462312e-06 4.09989283113362e-06  5.23518469015543e-06 4.75040752816483e-06  4.75111539481167e-10 4.25331754018206e-10  5.77209116332116e-10 4.65576880604215e-10
-7.86424362181091e+00 3.84239838156917e-04  -3.24069560731284e+01   3.44820450018259e+00 3.44820450018259e+00  6.01822684792453e+00 6.01822684792453e+00  2.39238254086486e-03 2.02572511084704e-03  3.51537706190677e-03 4.27829937017773e-03  4.51892753746391e-06 4.14857845349400e-06  5.29735173874417e-06 4.80681791905207e-06  4.83599433591763e-10 4.32930329511535e-10  5.87520990075435e-10 4.73894438254761e-10
-7.85834117058529e+00 3.86514501501398e-04  -3.24069560731284e+01   3.44820450900130e+00 3.44820450900130e+00  6.01822686377430e+00 6.01822686377430e+00  2.40654521517254e-03 2.03771721177522e-03  3.53618775609867e-03 4.30362649787784e-03  4.57258913559200e-06 4.19784221029428e-06  5.36025701175119e-06 4.86389817490314e-06  4.92238964388155e-10 4.40664653966298e-10  5.98017086021199e-10 4.82360589543716e-10
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3.68685342671336e+00 3.99190409443027e+01  -4.50912636551138e-01   5.64752240734568e-26 5.64752240734568e-26  -5.98022260606820e-26 -5.98022260606820e-26  2.09669472706941e-17 4.40268684072485e-20  -2.17732342882179e-17 -4.60434921422630e-20  2.42689181087440e-35 9.10424328234246e-37  -3.01554126053817e-35 -1.16175558112101e-36  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.69275587793897e+00 4.01553578749428e+01  -4.48258985932156e-01   4.20384697923989e-26 4.20384697923989e-26  -4.45149950914476e-26 -4.45149950914476e-26  1.76182885750711e-17 3.56318967600830e-20  -1.82958049692254e-17 -3.72639988568634e-20  1.60407706780181e-35 5.90387886467268e-37  -1.99315111197139e-35 -7.53370333558071e-37  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.69865832916458e+00 4.03930737793655e+01  -4.45620952222156e-01   3.12413206917197e-26 3.12413206917197e-26  -3.30817791620228e-26 -3.30817791620228e-26  1.47905273716659e-17 2.88043788360175e-20  -1.53593035051041e-17 -3.01237536528941e-20  1.05781644352873e-35 3.81940924061636e-37  -1.31439363188128e-35 -4.87379696355921e-37  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.70456078039020e+00 4.06321969393626e+01  -4.42998443514597e-01   2.31793623821815e-26 2.31793623821815e-26  -2.45448849606181e-26 -2.45448849606181e-26  1.24048839155793e-17 2.32580699937246e-20  -1.28819208613710e-17 -2.43234011701852e-20  6.95985624019552e-36 2.46498623892555e-37  -8.64799713932488e-36 -3.14547254580059e-37  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.71046323161581e+00 4.08727356857536e+01  -4.40391368443816e-01   1.71695631346359e-26 1.71695631346359e-26  -1.81810433766453e-26 -1.81810433766453e-26  1.03941392363235e-17 1.87577855082800e-20  -1.07938533085812e-17 -1.96169845987631e-20  4.56866875173127e-36 1.58703571161944e-37  -5.67681934756714e-36 -2.02515495787052e-37  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.71636568284142e+00 4.11146983986754e+01  -4.37799636181842e-01   1.26969289203294e-26 1.26969289203294e-26  -1.34449220367162e-26 -1.34449220367162e-26  8.70099284495825e-18 1.51105171288974e-20  -9.03559698249077e-18 -1.58026553665268e-20  2.99207907476545e-36 1.01931194705938e-37  -3.71782209346155e-36 -1.30070507273939e-37  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.72226813406703e+00 4.13580935078746e+01  -4.35223156435233e-01   9.37380291183715e-27 9.37380291183715e-27  -9.92602717008055e-27 -9.92602717008055e-27  7.27664566788555e-18 1.21580545524482e-20  -7.55647633066561e-18 -1.27149566679353e-20  1.95499196646888e-36 6.53085490451296e-38  -2.42918531686431e-36 -8.33377772827009e-38  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.72817058529265e+00 4.16029294930012e+01  -4.32661839441930e-01   6.90886355472860e-27 6.90886355472860e-27  -7.31587537633373e-27 -7.31587537633373e-27  6.07957848613331e-18 9.77086405198873e-21  -6.31337558165451e-18 -1.02184217257162e-20  1.27438278022139e-36 4.17416607321070e-38  -1.58349135700610e-36 -5.32649789030041e-38  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.73407303651826e+00 4.18492148839037e+01  -4.30115595968129e-01   5.08354931740455e-27 5.08354931740455e-27  -5.38302956925526e-27 -5.38302956925526e-27  5.07449991863761e-18 7.84301605263778e-21  -5.26964627706951e-18 -8.20226904217722e-21  8.28766685107779e-37 2.66134032597997e-38  -1.02978893084451e-36 -3.39603851254654e-38  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.73997548774387e+00 4.20969582609267e+01  -4.27584337305173e-01   3.73416093591615e-27 3.73416093591615e-27  -3.95414687175135e-27 -3.95414687175135e-27  4.23144129230785e-18 6.28798689074743e-21  -4.39416733822736e-18 -6.57601187196070e-21  5.37695729757781e-37 1.69260770480170e-38  -6.68117200544099e-37 -2.15987521633086e-38  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.74587793896948e+00 4.23461682552095e+01  -4.25067975266462e-01   2.73829667631553e-27 2.73829667631553e-27  -2.89961478305477e-27 -2.89961478305477e-27  3.52497864719346e-18 5.03518824331606e-21  -3.66053715624911e-18 -5.26582869293678e-21  3.48022415006070e-37 1.07382027377192e-38  -4.32437563555114e-37 -1.37026353826438e-38  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.75178039019510e+00 4.25968535489871e+01  -4.22566422184379e-01   2.00458894526646e-27 2.00458894526646e-27  -2.12268317449262e-27 -2.12268317449262e-27  2.93356467270476e-18 4.02710154275968e-21  -3.04637984009648e-18 -4.21156637139661e-21  2.24718364445852e-37 6.79548450447567e-39  -2.79225379638487e-37 -8.67147712416403e-39  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.75768284142071e+00 4.28490228758921e+01  -4.20079590907238e-01   1.46495195194127e-27 1.46495195194127e-27  -1.55125526128128e-27 -1.55125526128128e-27  2.43895560593189e-18 3.21691477120048e-21  -2.53275007804881e-18 -3.36426871634706e-21  1.44752148372516e-37 4.28960134874473e-39  -1.79862850332442e-37 -5.47381029867047e-39  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.76358529264632e+00 4.31026850212599e+01  -4.17607394796244e-01   1.06873605522212e-27 1.06873605522212e-27  -1.13169758171844e-27 -1.13169758171844e-27  2.02572008048569e-18 2.56657592509683e-21  -2.10362310075925e-18 -2.68414078822529e-21  9.30167104506813e-38 2.70094201236269e-39  -1.15578634121935e-37 -3.44657887215418e-39  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.76948774387194e+00 4.33578488224340e+01  -4.15149747722480e-01   7.78327409408507e-28 7.78327409408507e-28  -8.24180417038524e-28 -8.24180417038524e-28  1.68081862720863e-18 2.04519164302325e-21  -1.74545801281243e-18 -2.13887417977678e-21  5.96267214380300e-38 1.69632711780749e-39  -7.40896663011145e-38 -2.16462523527613e-39  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.77539019509755e+00 4.36145231690739e+01  -4.12706564063902e-01   5.65841281220329e-28 5.65841281220329e-28  -5.99176310590182e-28 -5.99176310590182e-28  1.39324402459381e-18 1.62771141043389e-21  -1.44682431373130e-18 -1.70227095384262e-21  3.81293705542382e-38 1.06266006841523e-39  -4.73779723979594e-38 -1.35602477387811e-39  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.78129264632316e+00 4.38727170034656e+01  -4.10277758702356e-01   4.10641508163942e-28 4.10641508163942e-28  -4.34833396353899e-28 -4.34833396353899e-28  1.15371398095595e-18 1.29384771817901e-21  -1.19808276296284e-18 -1.35311434203724e-21  2.43227411496688e-38 6.63994437105553e-40  -3.02224368078832e-38 -8.47301261086921e-40  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.78719509754877e+00 4.41324393208320e+01  -4.07863247020616e-01   2.97481799903585e-28 2.97481799903585e-28  -3.15007203302194e-28 -3.15007203302194e-28  9.54406171392192e-19 1.02718772135999e-21  -9.91110228245811e-19 -1.07423971486955e-21  1.54772019628965e-38 4.13820173000440e-40  -1.92313395060958e-38 -5.28062367278306e-40  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.79309754877439e+00 4.43936991696472e+01  -4.05462944899434e-01   2.14969043616899e-28 2.14969043616899e-28  -2.27633432722178e-28 -2.27633432722178e-28  7.88313908289376e-19 8.13981463446993e-22  -8.18630577769462e-19 -8.51267300918604e-22  9.81608596690721e-39 2.57019019762620e-40  -1.21970712960287e-38 -3.27973663424017e-40  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.79900000000000e+00 4.46565056519514e+01  -4.03076768714608e-01   1.57089672158585e-28 1.57089672158585e-28  -1.66344250768756e-28 -1.66344250768756e-28  6.56652796871676e-19 6.51251848970450e-22  -6.81906179546808e-19 -6.81083653708881e-22  7.34898737852274e-39 1.89803589970268e-40  -9.13155699534130e-39 -2.42202307920446e-40  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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3.72817058529265e+00 4.16029294930012e+01  3.70201325758576e-33
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3.77539019509755e+00 4.36145231690739e+01  2.12279379818643e-34
3.78129264632316e+00 4.38727170034656e+01  1.47151246211138e-34
3.78719509754877e+00 4.41324393208320e+01  1.01791335230141e-34
3.79309754877439e+00 4.43936991696472e+01  7.01908863083497e-35
3.79900000000000e+00 4.46565056519514e+01  4.91919096343776e-35
density.PCC>