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

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

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

 <<< Atom >>>
 AtomSpecies                 35
 max.ocupied.N               4
 total.electron              35.0000
 valence.electron            7.0000

 <ocupied.electrons
 1  2.0000 
 2  2.0000  6.0000 
 3  2.0000  6.0000  10.0000 
 4  2.0000  5.0000  0.0000  0.0000 
 ocupied.electrons>

 <<< parameters for solving 1D-differential equations >>>
 grid.xmin                   -8.000
 grid.xmax                    3.000
 grid.num                    9000
 grid.num.output             2000

 <<< SCF >>>
 scf.maxIter                 40
 scf.Mixing.Type             Simple
 scf.Init.Mixing.Weight      0.10000
 scf.Min.Mixing.Weight       0.00100
 scf.Max.Mixing.Weight       0.50000
 scf.Mixing.History          7
 scf.Mixing.StartPulay       4
 scf.criterion               0.00000000000100

 <<< Pseudo potential >>>
 vps.type                    TM
 number.vps                  4
 <pseudo.NandL
  0    4   0   1.3000
  1    4   1   1.5000
  2    4   2   1.7000
  3    4   3   1.3000
 pseudo.NandL>
 Blochl.projector.num        2
 local.type                  Polynomial
 local.part.vps              4
 local.cutoff                1.30000
 local.origin.ratio          4.10000
 log.deri.RadF.calc          ON
 log.deri.MinE               -2.00000
 log.deri.MaxE               2.00000
 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                   0.03000
 pcc.ratio.origin            5.00000

 <<< Pseudo atomic orbitals >>>
 maxL.pao                    3
 num.pao                     5
 radial.cutoff.pao           8.00000
 height.of.wall              20000.00000
 rising.edge                 0.20000
 search.LowerE               -3.00000
 search.UpperE               20.00000
 num.of.partition            300
 matching.point.ratio        0.75000

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


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

                         j=l+1/2                j=l-1/2
 n=  1  l=  0      -479.5353620793204     -479.5353620793204
 n=  2  l=  0       -63.0825629295772      -63.0825629295772
 n=  2  l=  1       -54.7975416686534      -56.4389921376689
 n=  3  l=  0        -8.5384956504316       -8.5384956504316
 n=  3  l=  1        -6.1448470451433       -6.3894943364526
 n=  3  l=  2        -2.5142103805030       -2.5556994316849
 n=  4  l=  0        -0.7403000207246       -0.7403000207246
 n=  4  l=  1        -0.2915205897342       -0.3099362517191


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

 Eeigen =    -1501.9592580884346
 Ekin   =     2626.9127342433853
 EHart  =     1107.8860006626380
 Exc    =      -72.2527117595149
 Eec    =    -6253.2620432799522
 Etot   = Ekin + EHart + Exc + Eec
 Etot   =    -2590.7160201334436


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

j.dependent.pseudo.potentials   on

<VPS> L=0, dif of log deris for all electrons =   47.5300429910   47.5300429910
<VPS> L=0, dif of log deris for semi local    =    0.0098436153    0.0098436153
<VPS> L=1, dif of log deris for all electrons =  789.3940000641  286.9736192003
<VPS> L=1, dif of log deris for semi local    =  122.0558828114    0.2134495634
<VPS> L=2, dif of log deris for all electrons = 4023.0771778757  963.0006485996
<VPS> L=2, dif of log deris for semi local    = 5062.1746385853 1874.8509373077
<VPS> L=3, dif of log deris for all electrons = 1214.2115489702 1406.5168031119
<VPS> L=3, dif of log deris for semi local    = 1208.5476559847 1355.9294578983

<project.energies
 8
 0    1.17532641775744e+00   1.17532641775744e+00
 0    2.95651875761339e+00   2.95651875761339e+00
 1    2.47191301726465e+00   2.36277664258803e+00
 1    4.70194100146203e+00   4.52667921233211e+00
 2    1.04185780075198e+00   1.06466606711603e+00
 2    7.91592742395386e-01   7.79019800945032e-01
 3    1.38345103563322e+01   1.39843871471868e+01
 3    1.98160210389046e+01   2.00336147068113e+01
project.energies>

<Pseudo.Potentials
-8.00000000000000e+00 3.35462627902512e-04  -2.20867776231598e+01   6.29887104140423e+00 6.29887104140423e+00  7.92340049290330e+00 7.92340049290330e+00  3.00328144969475e-03 3.12443733644331e-03  5.50671859425479e-03 5.65898642877756e-03  2.21216223408162e-06 2.20985977782159e-06  1.10680752191358e-05 1.10991226857573e-05  3.32376090758308e-10 3.31542122501554e-10  1.19712940372818e-09 1.19321402877359e-09
-7.99449774887444e+00 3.37313514877348e-04  -2.20867776231598e+01   6.29887105193338e+00 6.29887105193338e+00  7.92340051077720e+00 7.92340051077720e+00  3.01985180431744e-03 3.14167615875166e-03  5.53710145763864e-03 5.69020941763771e-03  2.23664041441847e-06 2.23431248090449e-06  1.11905465106301e-05 1.12219375258620e-05  3.37908073156462e-10 3.37060224549148e-10  1.21705412339438e-09 1.21307358195522e-09
-7.98899549774887e+00 3.39174613966168e-04  -2.20867776231598e+01   6.29887106257881e+00 6.29887106257881e+00  7.92340052884807e+00 7.92340052884807e+00  3.03651358449430e-03 3.15901009483235e-03  5.56765195600100e-03 5.72160467680572e-03  2.26138945249471e-06 2.25903575981525e-06  1.13143729806027e-05 1.13461113459020e-05  3.43532128456913e-10 3.42670168478116e-10  1.23731046514366e-09 1.23326367260594e-09
-7.98349324662331e+00 3.41045981513456e-04  -2.20867776231598e+01   6.29887107334181e+00 6.29887107334181e+00  7.92340054711808e+00 7.92340054711808e+00  3.05326729465832e-03 3.17643966946785e-03  5.59837101425500e-03 5.75317315676990e-03  2.28641234542457e-06 2.28403260854869e-06  1.14395696244759e-05 1.14716591833635e-05  3.49249789089429e-10 3.48373482873197e-10  1.25790394838391e-09 1.25378980208168e-09
-7.97799099549775e+00 3.42927674174574e-04  -2.20867776231598e+01   6.29887108422367e+00 6.29887108422367e+00  7.92340056558942e+00 7.92340056558942e+00  3.07011344202566e-03 3.19396541033612e-03  5.62925956241696e-03 5.78491581326284e-03  2.31171212348613e-06 2.30930605422897e-06  1.15661516036005e-05 1.15985962421269e-05  3.55062613010671e-10 3.54171721781971e-10  1.27884018446424e-09 1.27465756337894e-09
-7.97248874437219e+00 3.44819748917471e-04  -2.20867776231598e+01   6.29887109522569e+00 6.29887109522569e+00  7.92340058426430e+00 7.92340058426430e+00  3.08705253661102e-03 3.21158784802652e-03  5.66031853563450e-03 5.81683360729033e-03  2.33729185048833e-06 2.33485915747621e-06  1.16941342470916e-05 1.17269378943075e-05  3.60972184075442e-10 3.60066465085184e-10  1.30012487801218e-09 1.29587264246752e-09
-7.96698649324662e+00 3.46722263024417e-04  -2.20867776231598e+01   6.29887110634923e+00 6.29887110634923e+00  7.92340060314497e+00 7.92340060314497e+00  3.10408509124305e-03 3.22930751605589e-03  5.69154887421486e-03 5.84892750516044e-03  2.36315462414196e-06 2.36069501277710e-06  1.18235330536854e-05 1.18566996821173e-05  3.66980112542783e-10 3.66059319001559e-10  1.32176382875644e-09 1.31744082010738e-09
-7.96148424212106e+00 3.48635274093727e-04  -2.20867776231598e+01   6.29887111759560e+00 6.29887111759560e+00  7.92340062223369e+00 7.92340062223369e+00  3.12121162157990e-03 3.24712495088471e-03  5.72295152365335e-03 5.88119847851278e-03  2.38930357643480e-06 2.38681674885966e-06  1.19543636936157e-05 1.19878973197473e-05  3.73088035418360e-10 3.72151916429343e-10  1.34376293276018e-09 1.33936797307783e-09
-7.95598199099550e+00 3.50558840041514e-04  -2.20867776231598e+01   6.29887112896617e+00 6.29887112896617e+00  7.92340064153275e+00 7.92340064153275e+00  3.13843264612482e-03 3.26504069193336e-03  5.75452743466201e-03 5.91364750434794e-03  2.41574187401092e-06 2.41322752907211e-06  1.20866420105118e-05 1.21205466952702e-05  3.79297617019326e-10 3.78345917509738e-10  1.36612818445543e-09 1.36166007620536e-09
-7.95047973986993e+00 3.52493019103436e-04  -2.20867776231598e+01   6.29887114046231e+00 6.29887114046231e+00  7.92340066104447e+00 7.92340066104447e+00  3.15574868624186e-03 3.28305528159841e-03  5.78627756319839e-03 5.94627556505704e-03  2.44247271855414e-06 2.43993055176596e-06  1.22203840233172e-05 1.22546638725647e-05  3.85610549285964e-10 3.84643009937769e-10  1.38886567776559e-09 1.38432320348241e-09
-7.94497748874437e+00 3.54437869836462e-04  -2.20867776231598e+01   6.29887115208540e+00 6.29887115208540e+00  7.92340068077119e+00 7.92340068077119e+00  3.17316026617167e-03 3.30116926526906e-03  5.81820287049443e-03 5.97908364845150e-03  2.46949934717578e-06 2.46692905068334e-06  1.23556059282292e-05 1.23902650932605e-05  3.92028552408204e-10 3.91044909587226e-10  1.41198160836197e-09 1.40736353031656e-09
-7.93947523761881e+00 3.56393451120645e-04  -2.20867776231598e+01   6.29887116383685e+00 6.29887116383685e+00  7.92340070071528e+00 7.92340070071528e+00  3.19066791304733e-03 3.31938319134367e-03  5.85030432308566e-03 6.01207274779292e-03  2.49682503280664e-06 2.49422629534858e-06  1.24923241006609e-05 1.25273667787058e-05  3.98553375104564e-10 3.97553360788904e-10  1.43548227466849e-09 1.43078733453192e-09
-7.93397298649325e+00 3.58359822160902e-04  -2.20867776231598e+01   6.29887117571808e+00 6.29887117571808e+00  7.92340072087914e+00 7.92340072087914e+00  3.20827215691036e-03 3.33769761124633e-03  5.88258289284038e-03 6.04524386182315e-03  2.52445308459340e-06 2.52182559146421e-06  1.26305550972233e-05 1.26659855319551e-05  4.05186795313334e-10 4.04170137020058e-10  1.45937408035110e-09 1.45460099885045e-09
-7.92847073536768e+00 3.60337042488809e-04  -2.20867776231598e+01   6.29887118773051e+00 6.29887118773051e+00  7.92340074126517e+00 7.92340074126517e+00  3.22597353072672e-03 3.35611307944358e-03  5.91503955698912e-03 6.07859799479458e-03  2.55238684829929e-06 2.54973028131119e-06  1.27703156577313e-05 1.28061381397806e-05  4.11930620436759e-10 4.10897041147968e-10  1.48366353519735e-09 1.47881101176857e-09
-7.92296848424212e+00 3.62325171964404e-04  -2.20867776231598e+01   6.29887119987559e+00 6.29887119987559e+00  7.92340076187583e+00 7.92340076187583e+00  3.24377257040300e-03 3.37463015346118e-03  5.94767529815423e-03 6.11213615650045e-03  2.58062970670933e-06 2.57794374415374e-06  1.29116227072302e-05 1.29478415747045e-05  4.18786688100026e-10 4.17735906187020e-10  1.50835725784994e-09 1.50342397028190e-09
-7.91746623311656e+00 3.64324270777995e-04  -2.20867776231598e+01   6.29887121215479e+00 6.29887121215479e+00  7.92340078271358e+00 7.92340078271358e+00  3.26166981480258e-03 3.39324939390100e-03  5.98049110437960e-03 6.14585936230552e-03  2.60918508003994e-06 2.60646939664853e-06  1.30544933580457e-05 1.30911129970548e-05  4.25756866358556e-10 4.24688595505490e-10  1.53346197655350e-09 1.52844658062948e-09
-7.91196398199100e+00 3.66334399451987e-04  -2.20867776231598e+01   6.29887122456959e+00 6.29887122456959e+00  7.92340080378094e+00 7.92340080378094e+00  3.27966580576199e-03 3.41197136445799e-03  6.01348796916063e-03 6.17976863317674e-03  2.63805642635316e-06 2.63531069325844e-06  1.31989449118560e-05 1.32359697570432e-05  4.32843054528039e-10 4.31757003653479e-10  1.55898453214401e-09 1.55388566127347e-09
-7.90646173086543e+00 3.68355618842711e-04  -2.20867776231598e+01   6.29887123712149e+00 6.29887123712149e+00  7.92340082508043e+00 7.92340082508043e+00  3.29776108810731e-03 3.43079663193724e-03  6.04666689147424e-03 6.21386499571421e-03  2.66724724197538e-06 2.66447112667091e-06  1.33449948617873e-05 1.33824293968662e-05  4.40047183352619e-10 4.38943056530690e-10  1.58493187865467e-09 1.57974814350302e-09
-7.90095947973987e+00 3.70387990142270e-04  -2.20867776231598e+01   6.29887124981200e+00 6.29887124981200e+00  7.92340084661460e+00 7.92340084661460e+00  3.31595620967063e-03 3.44972576627115e-03  6.08002887580915e-03 6.24814948218220e-03  2.69676106192078e-06 2.69395422822087e-06  1.34926608945317e-05 1.35305096528295e-05  4.47371215909349e-10 4.46248712288606e-10  1.61131108657347e-09 1.60604107468119e-09
-7.89545722861431e+00 3.72431574880386e-04  -2.20867776231598e+01   6.29887126264264e+00 6.29887126264264e+00  7.92340086838603e+00 7.92340086838603e+00  3.33425172130669e-03 3.46875934053667e-03  6.11357493219629e-03 6.28262313054049e-03  2.72660146031944e-06 2.72376356831846e-06  1.36419608924899e-05 1.36802284574961e-05  4.54817147734967e-10 4.53675961456952e-10  1.63812934329983e-09 1.63277161870009e-09
-7.88995497748874e+00 3.74486434926268e-04  -2.20867776231598e+01   6.29887127561498e+00 6.29887127561498e+00  7.92340089039735e+00 7.92340089039735e+00  3.35264817690952e-03 3.48789793097266e-03  6.14730607623940e-03 6.31728698447570e-03  2.75677205085010e-06 2.75390275688130e-06  1.37929129359359e-05 1.38316039418576e-05  4.62387007808259e-10 4.61226827923590e-10  1.66539395668280e-09 1.65994705950752e-09
-7.88445272636318e+00 3.76552632490485e-04  -2.20867776231598e+01   6.29887128873056e+00 6.29887128873056e+00  7.92340091265119e+00 7.92340091265119e+00  3.37114613342920e-03 3.50714211699735e-03  6.18122332914572e-03 6.35214209343296e-03  2.78727648717783e-06 2.78437544377175e-06  1.39455353052071e-05 1.39846544375300e-05  4.70082858633031e-10 4.68903369017284e-10  1.69311235531992e-09 1.68757480140487e-09
-7.87895047523762e+00 3.78630230126843e-04  -2.20867776231598e+01   6.29887130199097e+00 6.29887130199097e+00  7.92340093515021e+00 7.92340093515021e+00  3.38974615088875e-03 3.52649248122584e-03  6.21532771775696e-03 6.38718951264764e-03  2.81811846339647e-06 2.81518531923884e-06  1.40998464829177e-05 1.41393984789736e-05  4.77906797302018e-10 4.76707676568942e-10  1.72129209238915e-09 1.71566237286647e-09
-7.87344822411206e+00 3.80719290734287e-04  -2.20867776231598e+01   6.29887131539782e+00 6.29887131539782e+00  7.92340095789714e+00 7.92340095789714e+00  3.40844879240109e-03 3.54594960948778e-03  6.24962027458038e-03 6.42243030317733e-03  2.84930171447599e-06 2.84633611436521e-06  1.42558651561973e-05 1.42958548057377e-05  4.85860955533554e-10 4.84641876948190e-10  1.74994084578096e-09 1.74421742667128e-09
-7.86794597298649e+00 3.82819877558801e-04  -2.20867776231598e+01   6.29887132895272e+00 6.29887132895272e+00  7.92340098089468e+00 7.92340098089468e+00  3.42725462418604e-03 3.56551409084510e-03  6.28410203782001e-03 6.45786553193391e-03  2.88083001671480e-06 2.87783160151888e-06  1.44136102189536e-05 1.44540423647300e-05  4.93947500820798e-10 4.92708132209717e-10  1.77906642223755e-09 1.77324774402855e-09
-7.86244372186093e+00 3.84932054195322e-04  -2.20867776231598e+01   6.29887134265729e+00 6.29887134265729e+00  7.92340100414560e+00 7.92340100414560e+00  3.44616421558752e-03 3.58518651760981e-03  6.31877405140812e-03 6.49349627171592e-03  2.91270718819702e-06 2.90967559481016e-06  1.45731007741605e-05 1.46139803125106e-05  5.02168636419500e-10 5.00908640081071e-10  1.80867675730876e-09 1.80276123453393e-09
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2.92196848424212e+00 1.85778216386204e+01  -3.76793368726849e-01   5.05771790379824e-15 5.05771790379824e-15  -5.30737221687202e-15 -5.30737221687202e-15  7.39308220864518e-12 4.95290533873088e-12  -7.65360495113221e-12 -5.13146045991588e-12  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
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2.93297298649325e+00 1.87833903347426e+01  -3.72669676457117e-01   3.87084986832324e-15 3.87084986832324e-15  -4.06191926973413e-15 -4.06191926973413e-15  6.19153640750540e-12 4.12829521410051e-12  -6.40971858268520e-12 -4.27712289930523e-12  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
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2.94397748874437e+00 1.89912337049169e+01  -3.68591114594006e-01   2.95460331248755e-15 2.95460331248755e-15  -3.10044589201774e-15 -3.10044589201774e-15  5.17668167089119e-12 3.43509304068191e-12  -5.35910190899299e-12 -3.55893054057437e-12  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.94947973986993e+00 1.90960162475216e+01  -3.66568603117119e-01   2.57873882718771e-15 2.57873882718771e-15  -2.70602835786539e-15 -2.70602835786539e-15  4.73050038713185e-12 3.13143018210335e-12  -4.89719785348767e-12 -3.24432051311741e-12  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.95498199099550e+00 1.92013769190360e+01  -3.64557189222484e-01   2.24915960751143e-15 2.24915960751143e-15  -2.36018076977482e-15 -2.36018076977482e-15  4.32097251320565e-12 2.85338151850716e-12  -4.47323880683402e-12 -2.95624807399488e-12  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.96048424212106e+00 1.93073189092379e+01  -3.62556812464401e-01   1.96036800726889e-15 1.96036800726889e-15  -2.05713411393009e-15 -2.05713411393009e-15  3.94525474230831e-12 2.59890352038868e-12  -4.08428127053130e-12 -2.69259602516530e-12  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.96598649324662e+00 1.94138454255046e+01  -3.60567411833009e-01   1.70748232934623e-15 1.70748232934623e-15  -1.79176572914575e-15 -1.79176572914575e-15  3.60070388418102e-12 2.36610105132738e-12  -3.72758891416870e-12 -2.45140091111487e-12  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.97148874437219e+00 1.95209596929096e+01  -3.58588927547475e-01   1.48619477709088e-15 1.48619477709088e-15  -1.55955518273255e-15 -1.55955518273255e-15  3.28487843385607e-12 2.15322775625925e-12  -3.40063419946870e-12 -2.23085342114024e-12  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.97699099549775e+00 1.96286649543207e+01  -3.56621299262374e-01   1.29268531093222e-15 1.29268531093222e-15  -1.35649387504266e-15 -1.35649387504266e-15  2.99551064458521e-12 1.95866550864470e-12  -3.10106946914126e-12 -2.02927709560291e-12  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.98249324662331e+00 1.97369644704979e+01  -3.54664467854318e-01   1.12358865803038e-15 1.12358865803038e-15  -1.17905042071357e-15 -1.17905042071357e-15  2.73050897877385e-12 1.78092547977164e-12  -2.82672948420107e-12 -1.84512943379270e-12  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.98799549774887e+00 1.98458615201921e+01  -3.52718373635194e-01   9.75953469869188e-16 9.75953469869188e-16  -1.02412779028152e-15 -1.02412779028152e-15  2.48799089628311e-12 1.61866810394245e-12  -2.57566536773980e-12 -1.67702257890695e-12  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.99349774887444e+00 1.99553594002444e+01  -3.50782958131716e-01   8.46526472128908e-16 8.46526472128908e-16  -8.88312124788252e-16 -8.88312124788252e-16  2.26496047067330e-12 1.46982392475439e-12  -2.34477562157920e-12 -1.52281247001576e-12  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.99900000000000e+00 2.00654614256862e+01  -3.48858162254355e-01   7.40548559535604e-16 7.40548559535604e-16  -7.77103017522114e-16 -7.77103017522114e-16  2.07514189211971e-12 1.34341376070291e-12  -2.14826806603589e-12 -1.39184513609354e-12  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  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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density.PCC>