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

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

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

 <<< Atom >>>
 AtomSpecies                 83
 max.ocupied.N               6
 total.electron              83.0000
 valence.electron            21.0000

 <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  3.0000  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                  5
 <pseudo.NandL
  0    5   1   1.3000
  1    5   2   1.3000
  2    5   3   1.5000
  3    6   0   1.7000
  4    6   1   2.0000
 pseudo.NandL>
 Blochl.projector.num        2
 local.type                  Polynomial
 local.part.vps              5
 local.cutoff                1.50000
 local.origin.ratio          2.50000
 log.deri.RadF.calc          ON
 log.deri.MinE               -3.70000
 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     -3256.5121702259457    -3256.5121702259457
 n=  2  l=  0      -581.5964441186445     -581.5964441186445
 n=  2  l=  1      -478.8426642145564     -561.5748617117579
 n=  3  l=  0      -141.9584488213539     -141.9584488213539
 n=  3  l=  1      -114.0322189405109     -132.2289368352042
 n=  3  l=  2       -92.0301480745155      -95.8216980853288
 n=  4  l=  0       -32.0310287166911      -32.0310287166911
 n=  4  l=  1       -23.2449224672531      -27.8519267450468
 n=  4  l=  2       -14.9984310626469      -15.8638057773778
 n=  4  l=  3        -5.6914969578919       -5.9042076002929
 n=  5  l=  0        -5.6127723829022       -5.6127723829022
 n=  5  l=  1        -3.2242351556514       -4.1323930326478
 n=  5  l=  2        -0.9305125298420       -1.0420577542407
 n=  6  l=  0        -0.5175304219566       -0.5175304219566
 n=  6  l=  1        -0.1543773149721       -0.2250309234888


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

 Eeigen =   -13257.0255773676181
 Ekin   =    24833.1069619908849
 EHart  =     8323.2111715094343
 Exc    =     -271.5977979262170
 Eec    =   -54389.3429019090909
 Etot   = Ekin + EHart + Exc + Eec
 Etot   =   -21504.6225663349906


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

j.dependent.pseudo.potentials   on

<VPS> L=0, dif of log deris for all electrons = 21121.9754026879 21121.9754026879
<VPS> L=0, dif of log deris for semi local    = 19985.7126222235 19985.7126222235
<VPS> L=1, dif of log deris for all electrons =  105.8868203973  424.4945609054
<VPS> L=1, dif of log deris for semi local    =   59.7117645643   32.6917851456
<VPS> L=2, dif of log deris for all electrons =    2.6180208741   77.3293359738
<VPS> L=2, dif of log deris for semi local    =   42.5967737926  544.5993123188
<VPS> L=3, dif of log deris for all electrons =    3.3409302333    0.8247852145
<VPS> L=3, dif of log deris for semi local    =    7.4314942772    1.8809991158

<project.energies
 8
 0    1.52814243034850e+00   1.52814243034850e+00
 0    4.01127193018262e+00   4.01127193018262e+00
 1    5.46070941591465e-01   6.25880230551204e-01
 1    1.66677415543499e+00   2.29436030073132e+00
 2    1.26284532631228e+00   1.28249943669678e+00
 2    3.00015904105105e+00   2.99865374524623e+00
 3    2.78917081271808e+00   2.94189251177763e+00
 3    1.11049978887291e+01   1.17288619826103e+01
project.energies>

<Pseudo.Potentials
-8.00000000000000e+00 3.35462627902512e-04  -3.50075142765277e+01   3.92472800066692e+00 3.92472800066692e+00  4.95075897647926e+00 4.95075897647926e+00  1.06860096586153e-02 1.09059848395278e-02  1.13664186937165e-02 9.93153641013233e-03  3.22527873044165e-06 3.21690685061163e-06  4.74786074560876e-06 4.68711732738847e-06  1.92534618814397e-10 1.91954243087512e-10  1.05615014374408e-10 1.16177083014844e-10
-7.99409754877439e+00 3.37448534795440e-04  -3.50075142765277e+01   3.92472800165859e+00 3.92472800165859e+00  4.95075897742138e+00 4.95075897742138e+00  1.07492698143060e-02 1.09705472193369e-02  1.14337068046426e-02 9.99033014741264e-03  3.26357844303562e-06 3.25510714785711e-06  4.80424089598068e-06 4.74277615774521e-06  1.95974260462600e-10 1.95383516289025e-10  1.07501832297531e-10 1.18252592871667e-10
-7.98819509754877e+00 3.39446198068541e-04  -3.50075142765277e+01   3.92472800266058e+00 3.92472800266058e+00  4.95075897836951e+00 4.95075897836951e+00  1.08129044639882e-02 1.10354918020339e-02  1.15013932546301e-02 1.00494719377405e-02  3.30233295903716e-06 3.29376106795527e-06  4.86129055225407e-06 4.79909592841411e-06  1.99475351492062e-10 1.98874053638861e-10  1.09422358316430e-10 1.20365181815360e-10
-7.98229264632316e+00 3.41455687318469e-04  -3.50075142765277e+01   3.92472800367300e+00 3.92472800367300e+00  4.95075897932369e+00 4.95075897932369e+00  1.08769158246285e-02 1.11008208502187e-02  1.15694804018050e-02 1.01089638415514e-02  3.34154767916760e-06 3.33287399760824e-06  4.91901766470904e-06 4.85608448795967e-06  2.03038989699017e-10 2.02426949624058e-10  1.11377194627651e-10 1.22515512265382e-10
-7.97639019509755e+00 3.43477072553882e-04  -3.50075142765277e+01   3.92472800469599e+00 3.92472800469599e+00  4.95075898028396e+00 4.95075898028396e+00  1.09413061263178e-02 1.11665366398854e-02  1.16379706182536e-02 1.01688079314783e-02  3.38122806828094e-06 3.37245138748434e-06  4.97743027803395e-06 4.91374977814680e-06  2.06666292491876e-10 2.06043318284712e-10  1.13366954186003e-10 1.24704258475335e-10
-7.97048774387194e+00 3.45510424197887e-04  -3.50075142765277e+01   3.92472800572964e+00 3.92472800572964e+00  4.95075898125036e+00 4.95075898125036e+00  1.10060776123486e-02 1.12326414605019e-02  1.17068662901043e-02 1.02290062924237e-02  3.42137965612548e-06 3.41249875297769e-06  5.03653653244655e-06 4.97209983504755e-06  2.10358397241598e-10 2.09724293563287e-10  1.15392260896735e-10 1.26932106744371e-10
-7.96458529264632e+00 3.47555813090484e-04  -3.50075142765277e+01   3.92472800677407e+00 3.92472800677407e+00  4.95075898222291e+00 4.95075898222291e+00  1.10712325392937e-02 1.12991376150893e-02  1.17761698176112e-02 1.02895610216325e-02  3.46200803811437e-06 3.45302167497685e-06  5.09634466482835e-06 5.03114279016100e-06  2.14116461638321e-10 2.13471029660179e-10  1.17453749811188e-10 1.29199755632396e-10
-7.95868284142071e+00 3.49613310491041e-04  -3.50075142765277e+01   3.92472800782941e+00 3.92472800782941e+00  4.95075898320167e+00 4.95075898320167e+00  1.11367731770845e-02 1.13660274203021e-02  1.18458836152376e-02 1.03504742287650e-02  3.50311887610542e-06 3.49402580064249e-06  5.15686300987244e-06 5.09088687154644e-06  2.17941664054370e-10 2.17284701395624e-10  1.19552067325916e-10 1.31507916179117e-10
-7.95278039019510e+00 3.51682988080777e-04  -3.50075142765277e+01   3.92472800889577e+00 3.92472800889577e+00  4.95075898418666e+00 4.95075898418666e+00  1.12027018090902e-02 1.14333132065095e-02  1.19160101117403e-02 1.04117480359704e-02  3.54471789919007e-06 3.53551684419446e-06  5.21810000124513e-06 5.15134040497006e-06  2.21835203913738e-10 2.21166504578072e-10  1.21687871385361e-10 1.33857312126979e-10
-7.94687793896949e+00 3.53764917965253e-04  -3.50075142765277e+01   3.92472800997328e+00 3.92472800997328e+00  4.95075898517793e+00 4.95075898517793e+00  1.12690207321970e-02 1.15009973178757e-02  1.19865517502537e-02 1.04733845779606e-02  3.58681090449182e-06 3.57750058770798e-06  5.28006417276103e-06 5.21251181506507e-06  2.25798302068179e-10 2.25117656379137e-10  1.23861831688159e-10 1.36248680148105e-10
-7.94097548774387e+00 3.55859172676891e-04  -3.50075142765277e+01   3.92472801106204e+00 3.92472801106204e+00  4.95075898617551e+00 4.95075898617551e+00  1.13357322568888e-02 1.15690821124423e-02  1.20575109883756e-02 1.05353860020847e-02  3.62940375797407e-06 3.61998288191952e-06  5.34276415957251e-06 5.27440962650589e-06  2.29832201180015e-10 2.29139395715258e-10  1.26074629897131e-10 1.38682770075288e-10
-7.93507303651826e+00 3.57965825177497e-04  -3.50075142765277e+01   3.92472801216220e+00 3.92472801216220e+00  4.95075898717943e+00 4.95075898717943e+00  1.14028387073269e-02 1.16375699622102e-02  1.21288902982522e-02 1.05977544684041e-02  3.67250239525759e-06 3.66296964704207e-06  5.40620869937286e-06 5.33704246519596e-06  2.33938166111780e-10 2.33232983636164e-10  1.28326959853022e-10 1.41160345137098e-10
-7.92917058529265e+00 3.60084948860805e-04  -3.50075142765277e+01   3.92472801327387e+00 3.92472801327387e+00  4.95075898818976e+00 4.95075898818976e+00  1.14703424214318e-02 1.17064632532221e-02  1.22006921666647e-02 1.06604921497669e-02  3.71611282244769e-06 3.70646687359021e-06  5.47040663361415e-06 5.40041905946998e-06  2.38117484322833e-10 2.37399703720298e-10  1.30619527792061e-10 1.43682182197219e-10
-7.92326813406703e+00 3.62216617555030e-04  -3.50075142765277e+01   3.92472801439719e+00 3.92472801439719e+00  4.95075898920651e+00 4.95075898920651e+00  1.15382457509638e-02 1.17757643856459e-02  1.22729190951158e-02 1.07236012318845e-02  3.76024111697123e-06 3.75048062321489e-06  5.53536690873917e-06 5.46454824131010e-06  2.42371466273043e-10 2.41640862477271e-10  1.32953052567400e-10 1.46249071998001e-10
-7.91736568284142e+00 3.64360905525447e-04  -3.50075142765277e+01   3.92472801553227e+00 3.92472801553227e+00  4.95075899022972e+00 4.95075899022972e+00  1.16065510616056e-02 1.18454757738579e-02  1.23455735999164e-02 1.07870839134073e-02  3.80489342842349e-06 3.79501702954816e-06  5.60109857742824e-06 5.52943894757680e-06  2.46701445833699e-10 2.45957789757550e-10  1.35328265874522e-10 1.48861819408440e-10
-7.91146323161581e+00 3.66517887476971e-04  -3.50075142765277e+01   3.92472801667925e+00 3.92472801667925e+00  4.95075899125945e+00 4.95075899125945e+00  1.16752607330444e-02 1.19155998465274e-02  1.24186582122741e-02 1.08509424060014e-02  3.85007597942524e-06 3.84008229905799e-06  5.66761079986085e-06 5.59510022125434e-06  2.51108780705760e-10 2.50351839169434e-10  1.37745912480672e-10 1.51521243676535e-10
-7.90556078039020e+00 3.68687638556765e-04  -3.50075142765277e+01   3.92472801783825e+00 3.92472801783825e+00  4.95075899229573e+00 4.95075899229573e+00  1.17443771590548e-02 1.19861390467010e-02  1.24921754783807e-02 1.09151789344255e-02  3.89579506648985e-06 3.88568271191310e-06  5.73491284499199e-06 5.66154121271085e-06  2.55594852845556e-10 2.54824388503487e-10  1.40206750458365e-10 1.54228178686169e-10
-7.89965832916458e+00 3.70870234356855e-04  -3.50075142765277e+01   3.92472801900942e+00 3.92472801900942e+00  4.95075899333860e+00 4.95075899333860e+00  1.18139027475825e-02 1.20570958318878e-02  1.25661279595012e-02 1.09797957366087e-02  3.94205706090077e-06 3.93182462285822e-06  5.80301409184410e-06 5.72877118097360e-06  2.60161068898135e-10 2.59376840164556e-10  1.42711551423117e-10 1.56983473218578e-10
-7.89375587793897e+00 3.73065750916766e-04  -3.50075142765277e+01   3.92472802019289e+00 3.92472802019289e+00  4.95075899438810e+00 4.95075899438810e+00  1.18838399208277e-02 1.21284726741449e-02  1.26405182320629e-02 1.10447950637283e-02  3.98886840959939e-06 3.97851446209961e-06  5.87192403081385e-06 5.79679949501923e-06  2.64808860638309e-10 2.64010621611508e-10  1.45261100775363e-10 1.59787991218496e-10
-7.88785342671336e+00 3.75274264726168e-04  -3.50075142765277e+01   3.92472802138878e+00 3.92472802138878e+00  4.95075899544426e+00 4.95075899544426e+00  1.19541911153298e-02 1.22002720601639e-02  1.27153488877452e-02 1.11101791802878e-02  4.03623563608349e-06 4.02575873620116e-06  5.94165226499484e-06 5.86563563507939e-06  2.69539685419600e-10 2.68727185804817e-10  1.47856197946727e-10 1.62642612065051e-10
-7.88195097548774e+00 3.77495852727544e-04  -3.50075142765277e+01   3.92472802259724e+00 3.92472802259724e+00  4.95075899650715e+00 4.95075899650715e+00  1.20249587820524e-02 1.22724964913570e-02  1.27906225335702e-02 1.11759503641969e-02  4.08416534131633e-06 4.07356402899119e-06  6.01220851151581e-06 5.93528919396196e-06  2.74355026631213e-10 2.73528011662155e-10  1.50497656650705e-10 1.65548230847491e-10
-7.87604852426213e+00 3.79730592318868e-04  -3.50075142765277e+01   3.92472802381841e+00 3.92472802381841e+00  4.95075899757679e+00 4.95075899757679e+00  1.20961453864682e-02 1.23451484839445e-02  1.28663417919929e-02 1.12421109068496e-02  4.13266420464653e-06 4.12193700247983e-06  6.08360260289482e-06 6.00576987838773e-06  2.79256394163160e-10 2.78414604522118e-10  1.53186305137806e-10 1.68505758645867e-10
-7.87014607303652e+00 3.81978561356304e-04  -3.50075142765277e+01   3.92472802505242e+00 3.92472802505242e+00  4.95075899865322e+00 4.95075899865322e+00  1.21677534086455e-02 1.24182305690424e-02  1.29425093009930e-02 1.13086631132049e-02  4.18173898473887e-06 4.17088439778752e-06  6.15584448840936e-06 6.07708751034316e-06  2.84245324879693e-10 2.83388496616226e-10  1.55922986455233e-10 1.71516122816674e-10
-7.86424362181091e+00 3.84239838156917e-04  -3.50075142765277e+01   3.92472802629942e+00 3.92472802629942e+00  4.95075899973649e+00 4.95075899973649e+00  1.22397853433342e-02 1.24917452927504e-02  1.30191277141668e-02 1.13756093018667e-02  4.23139652051621e-06 4.22041303608440e-06  6.22894423548307e-06 6.14925202844922e-06  2.89323383101208e-10 2.88451247549385e-10  1.58708558711268e-10 1.74580267283674e-10
-7.85834117058529e+00 3.86514501501398e-04  -3.50075142765277e+01   3.92472802755955e+00 3.92472802755955e+00  4.95075900082664e+00 4.95075900082664e+00  1.23122437000528e-02 1.25656952162409e-02  1.30961997008194e-02 1.14429518051645e-02  4.28164373211244e-06 4.27052981954084e-06  6.30291203108840e-06 6.22227348934621e-06  2.94492161094737e-10 2.93604444788892e-10  1.61543895344286e-10 1.77699152833817e-10
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3.71046323161581e+00 4.08727356857536e+01  -5.13789929851118e-01   1.37346147608295e-22 1.37346147608295e-22  -1.43545367301835e-22 -1.43545367301835e-22  5.01042382977507e-48 1.64177941509016e-53  -5.97550574934267e-48 -2.02310147007701e-53  5.75461690432023e-29 2.76199532383912e-30  -6.62059615072753e-29 -3.22969469458798e-30  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.71636568284142e+00 4.11146983986754e+01  -5.10766242212149e-01   1.06825472413243e-22 1.06825472413243e-22  -1.11647134180333e-22 -1.11647134180333e-22  2.78383046258226e-48 8.49466861998704e-54  -3.32003805544603e-48 -1.04676549733988e-53  4.13840261108340e-29 1.95116652642686e-30  -4.76116860726155e-29 -2.28156594711047e-30  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.72226813406703e+00 4.13580935078746e+01  -5.07760349174439e-01   8.29723479233131e-23 8.29723479233131e-23  -8.67173896974319e-23 -8.67173896974319e-23  1.54175638688831e-48 4.37945088153033e-54  -1.83872215591367e-48 -5.39663089383585e-54  2.97071396767069e-29 1.37573453467202e-30  -3.41776187787305e-29 -1.60869416427963e-30  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.72817058529265e+00 4.16029294930012e+01  -5.04772146015585e-01   6.43559599512790e-23 6.43559599512790e-23  -6.72607411040841e-23 -6.72607411040841e-23  8.51110589668324e-49 2.24970869743555e-54  -1.01504762817823e-48 -2.77223115424283e-54  2.12861122195719e-29 9.68142439125653e-31  -2.44893608612707e-29 -1.13208298120951e-30  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.73407303651826e+00 4.18492148839037e+01  -5.01801528629484e-01   4.98468353689605e-23 4.98468353689605e-23  -5.20967372947375e-23 -5.20967372947375e-23  4.68323629379556e-49 1.15148454012895e-54  -5.58530084257664e-49 -1.41893127260585e-54  1.52242140835324e-29 6.79991655253485e-31  -1.75152413172809e-29 -7.95138426946253e-31  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
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3.74587793896948e+00 4.23461682552095e+01  -4.95912637810872e-01   2.97784229582912e-23 2.97784229582912e-23  -3.11225192030097e-23 -3.11225192030097e-23  1.40412527581220e-49 2.98376285323657e-55  -1.67458232191944e-49 -3.67678083358496e-55  7.74467905951883e-30 3.33497687649884e-31  -8.91014854702593e-30 -3.89970984284903e-31  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.75178039019510e+00 4.25968535489871e+01  -4.92994159215109e-01   2.29673002422472e-23 2.29673002422472e-23  -2.40039688520486e-23 -2.40039688520486e-23  7.65051259092176e-50 1.51050458341458e-55  -9.12412551851716e-50 -1.86133945184487e-55  5.50838935003202e-30 2.32867276434738e-31  -6.33732947085628e-30 -2.72300277721378e-31  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.75768284142071e+00 4.28490228758921e+01  -4.90092856058444e-01   1.76887653015690e-23 1.76887653015690e-23  -1.84871805807004e-23 -1.84871805807004e-23  4.15465514906232e-50 7.61853981938570e-56  -4.95490999551680e-50 -9.38804950627931e-56  3.91049111049442e-30 1.62280105210544e-31  -4.49896998139072e-30 -1.89760166640349e-31  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.76358529264632e+00 4.31026850212599e+01  -4.87208627262285e-01   1.36038124138944e-23 1.36038124138944e-23  -1.42178476106914e-23 -1.42178476106914e-23  2.24870030583648e-50 3.82829122239178e-56  -2.68183737188107e-50 -4.71746504259610e-56  2.77088944579280e-30 1.12864858458726e-31  -3.18787384306818e-30 -1.31977125427729e-31  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.76948774387194e+00 4.33578488224340e+01  -4.84341372342893e-01   1.04470889205174e-23 1.04470889205174e-23  -1.09186405240244e-23 -1.09186405240244e-23  1.21303304296758e-50 1.91651948833169e-56  -1.44668361046223e-50 -2.36165827085493e-56  1.95967619333681e-30 7.83401694006237e-32  -2.25458378471572e-30 -9.16061392350174e-32  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.77539019509755e+00 4.36145231690739e+01  -4.81490991407885e-01   8.01119146288612e-24 8.01119146288612e-24  -8.37279472693812e-24 -8.37279472693812e-24  6.52154151644100e-51 9.55845967147456e-57  -7.77770136403053e-51 -1.17785497564011e-56  1.38332168780043e-30 5.42673584710818e-32  -1.59149537961650e-30 -6.34569077803970e-32  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.78129264632316e+00 4.38727170034656e+01  -4.78657385152749e-01   6.13424430520157e-24 6.13424430520157e-24  -6.41112813126840e-24 -6.41112813126840e-24  3.49426579209573e-51 4.74919124413279e-57  -4.16732150201348e-51 -5.85226063089843e-57  9.74615706214510e-31 3.75161546860203e-32  -1.12128428411700e-30 -4.38690964315661e-32  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.78719509754877e+00 4.41324393208320e+01  -4.75840454857386e-01   4.69007185078500e-24 4.69007185078500e-24  -4.90177011444850e-24 -4.90177011444850e-24  1.86583324808653e-51 2.35066064639950e-57  -2.22522518879381e-51 -2.89663670061203e-57  6.85348734083926e-31 2.58832676495677e-32  -7.88486163057114e-31 -3.02663201969361e-32  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.79309754877439e+00 4.43936991696472e+01  -4.73040102382673e-01   3.57817329122566e-24 3.57817329122566e-24  -3.73968367266737e-24 -3.73968367266737e-24  9.91881888706270e-52 1.15779452946965e-57  -1.18293578275330e-51 -1.42670990532278e-57  4.80667713039418e-31 1.78081027751521e-32  -5.53003072199306e-31 -2.08237201748668e-32  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.79900000000000e+00 4.46565056519514e+01  -4.70256230167043e-01   2.75795247807943e-24 2.75795247807943e-24  -2.88244037139868e-24 -2.88244037139868e-24  6.59624638915383e-52 7.31680321605542e-58  -7.86680068181173e-52 -9.01624384260141e-58  3.84191102760278e-31 1.40578651673990e-32  -4.42007895068702e-31 -1.64384242664964e-32  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  5.25215420909606e-30
density.PCC>