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

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

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

 <<< Atom >>>
 AtomSpecies                 19
 max.ocupied.N               4
 total.electron              19.0000
 valence.electron            9.0000

 <ocupied.electrons
 1  2.0000 
 2  2.0000  6.0000 
 3  2.0000  6.0000  0.0000 
 4  1.0000  0.0000  0.0000  0.0000 
 ocupied.electrons>

 <<< parameters for solving 1D-differential equations >>>
 grid.xmin                   -7.000
 grid.xmax                    3.200
 grid.num                    12000
 grid.num.output             2000

 <<< SCF >>>
 scf.maxIter                 35
 scf.Mixing.Type             Simple
 scf.Init.Mixing.Weight      0.10000
 scf.Min.Mixing.Weight       0.00100
 scf.Max.Mixing.Weight       0.60000
 scf.Mixing.History          7
 scf.Mixing.StartPulay       4
 scf.criterion               0.00000000000100

 <<< Pseudo potential >>>
 vps.type                    TM
 number.vps                  4
 <pseudo.NandL
  0    3   0   1.6000
  1    3   1   1.9000
  2    3   2   1.9000
  3    4   0   1.9000
 pseudo.NandL>
 Blochl.projector.num        2
 local.type                  Polynomial
 local.part.vps              4
 local.cutoff                1.70000
 local.origin.ratio          3.10000
 log.deri.RadF.calc          OFF
 log.deri.MinE               -2.00000
 log.deri.MaxE               2.00000
 log.deri.num                50
 <log.deri.R
  0   2.5000  2.5000
  1   2.5000  2.5000
  2   2.5000  2.5000
 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            8.00000

 <<< Pseudo atomic orbitals >>>
 maxL.pao                    2
 num.pao                     5
 radial.cutoff.pao           9.00000
 height.of.wall              20000.00000
 rising.edge                 0.20000
 search.LowerE               -3.00000
 search.UpperE               20.00000
 num.of.partition            1200
 matching.point.ratio        0.67000

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

 SCF=   1  Eeigen=-353.6545496487803 (Hartree)  NormRD=  0.5015949350793
 SCF=   2  Eeigen=-346.5960483042151 (Hartree)  NormRD=  0.0965784853519
 SCF=   3  Eeigen=-346.5945010392517 (Hartree)  NormRD=  0.0963162695626
 SCF=   4  Eeigen=-346.0257410015496 (Hartree)  NormRD=  0.0246553642757
 SCF=   5  Eeigen=-345.8907846297757 (Hartree)  NormRD=  0.0035071825708
 SCF=   6  Eeigen=-345.9001199442417 (Hartree)  NormRD=  0.0005267056368
 SCF=   7  Eeigen=-345.9005856233154 (Hartree)  NormRD=  0.0000798942522
 SCF=   8  Eeigen=-345.9019821037126 (Hartree)  NormRD=  0.0000122338599
 SCF=   9  Eeigen=-345.9026182778168 (Hartree)  NormRD=  0.0000018857774
 SCF=  10  Eeigen=-345.9029246015235 (Hartree)  NormRD=  0.0000002923881
 SCF=  11  Eeigen=-345.9030552662451 (Hartree)  NormRD=  0.0000000455678
 SCF=  12  Eeigen=-345.9031101797109 (Hartree)  NormRD=  0.0000000071340
 SCF=  13  Eeigen=-345.9031330208384 (Hartree)  NormRD=  0.0000000011213
 SCF=  14  Eeigen=-345.9031425105906 (Hartree)  NormRD=  0.0000000001769
 SCF=  15  Eeigen=-345.9031464518163 (Hartree)  NormRD=  0.0000000000280
 SCF=  16  Eeigen=-345.9031467389059 (Hartree)  NormRD=  0.0000000000223
 SCF=  17  Eeigen=-345.9031467471208 (Hartree)  NormRD=  0.0000000000222
 SCF=  18  Eeigen=-345.9031467485817 (Hartree)  NormRD=  0.0000000000222
 SCF=  19  Eeigen=-345.9031467524823 (Hartree)  NormRD=  0.0000000000221
 SCF=  20  Eeigen=-345.9031467532079 (Hartree)  NormRD=  0.0000000000221
 SCF=  21  Eeigen=-345.9031467557249 (Hartree)  NormRD=  0.0000000000220
 SCF=  22  Eeigen=-345.9031467586158 (Hartree)  NormRD=  0.0000000000220
 SCF=  23  Eeigen=-345.9031467605141 (Hartree)  NormRD=  0.0000000000219
 SCF=  24  Eeigen=-345.9031467643048 (Hartree)  NormRD=  0.0000000000219
 SCF=  25  Eeigen=-345.9031467658367 (Hartree)  NormRD=  0.0000000000218
 SCF=  26  Eeigen=-345.9031467691039 (Hartree)  NormRD=  0.0000000000218
 SCF=  27  Eeigen=-345.9031467711417 (Hartree)  NormRD=  0.0000000000218
 SCF=  28  Eeigen=-345.9031467757020 (Hartree)  NormRD=  0.0000000000217
 SCF=  29  Eeigen=-345.9031467797526 (Hartree)  NormRD=  0.0000000000217
 SCF=  30  Eeigen=-345.9031467736686 (Hartree)  NormRD=  0.0000000000216
 SCF=  31  Eeigen=-345.9031467699430 (Hartree)  NormRD=  0.0000000000216
 SCF=  32  Eeigen=-345.9031467720088 (Hartree)  NormRD=  0.0000000000215
 SCF=  33  Eeigen=-345.9031467777142 (Hartree)  NormRD=  0.0000000000215
 SCF=  34  Eeigen=-345.9031467801090 (Hartree)  NormRD=  0.0000000000215
 SCF=  35  Eeigen=-345.9031467861989 (Hartree)  NormRD=  0.0000000000000

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

                         j=l+1/2                j=l-1/2
 n=  1  l=  0      -125.5440787443820     -125.5440787443820
 n=  2  l=  0       -12.8136863713329      -12.8136863713329
 n=  2  l=  1       -10.3286833469305      -10.4323049505495
 n=  3  l=  0        -1.2852004235224       -1.2852004235224
 n=  3  l=  1        -0.7017614057547       -0.7114187570346
 n=  4  l=  0        -0.0947103269165       -0.0947103269165


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

 Eeigen =     -345.9031467861989
 Ekin   =      595.1787576989276
 EHart  =      258.5408481110553
 Exc    =      -28.1442547212368
 Eec    =    -1422.8063504093423
 Etot   = Ekin + EHart + Exc + Eec
 Etot   =     -597.2309993205962


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

j.dependent.pseudo.potentials   on
<project.energies
 6
 0    5.80084737813702e-01   5.80084737813702e-01
 0    2.07563139598502e+00   2.07563139598502e+00
 1    1.04884251193866e+00   1.04218429852862e+00
 1    3.33981441711818e+00   3.30587198358370e+00
 2    4.19473002056235e+00   4.20403428968333e+00
 2    8.26983242115887e+00   8.41785693158552e+00
project.energies>

<Pseudo.Potentials
-7.00000000000000e+00 9.11881965554516e-04  -1.64093143869355e+01   8.03799524388732e+00 8.03799524388732e+00  5.60355168395692e+00 5.60355168395692e+00  8.47274451297009e-03 8.50485387578643e-03  6.88256087863000e-03 6.88826557011257e-03  9.74999261530359e-07 9.54801847196278e-07  2.12476559812240e-07 1.77749291590586e-07
-6.99489794897449e+00 9.16546322647843e-04  -1.64093143869355e+01   8.03799530647073e+00 8.03799530647073e+00  5.60355181634628e+00 5.60355181634628e+00  8.51608338555331e-03 8.54835699104826e-03  6.91776599325468e-03 6.92349986772933e-03  9.84999303307201e-07 9.64594737889425e-07  2.14656067275408e-07 1.79572618181577e-07
-6.98979589794897e+00 9.21234538341203e-04  -1.64093143869355e+01   8.03799536978830e+00 8.03799536978830e+00  5.60355195033298e+00 5.60355195033298e+00  8.55964394100008e-03 8.59208262929883e-03  6.95315118882883e-03 6.95891439562227e-03  9.95101911581752e-07 9.74488070478777e-07  2.16857934741518e-07 1.81414651522994e-07
-6.98469384692346e+00 9.25946734673451e-04  -1.64093143869355e+01   8.03799543384768e+00 8.03799543384768e+00  5.60355208593375e+00 5.60355208593375e+00  8.60342731324968e-03 8.63603192877486e-03  6.98871738654229e-03 6.99451007574587e-03  1.00530813836874e-06 9.84482875188644e-07  2.19082391677317e-07 1.83275583609541e-07
-6.97959179589795e+00 9.30683034307682e-04  -1.64093143869355e+01   8.03799549865661e+00 8.03799549865661e+00  5.60355222316546e+00 5.60355222316546e+00  8.64743464204174e-03 8.68020603353548e-03  7.02446551229777e-03 7.03028783477148e-03  1.01561904647391e-06 9.94580192810901e-07  2.21329669905873e-07 1.85155608407874e-07
-6.97448974487244e+00 9.35443560534420e-04  -1.64093143869355e+01   8.03799556422291e+00 8.03799556422291e+00  5.60355236204518e+00 5.60355236204518e+00  8.69166707294597e-03 8.72460609349191e-03  7.06039649673506e-03 7.06624860411144e-03  1.02603570960480e-06 1.00478107481338e-06  2.23600003630883e-07 1.87054921876865e-07
-6.96938769384692e+00 9.40228437274835e-04  -1.64093143869355e+01   8.03799563055448e+00 8.03799563055448e+00  5.60355250259019e+00 5.60355250259019e+00  8.73612575739199e-03 8.76923326443757e-03  7.09651127525524e-03 7.10239331994335e-03  1.03655921248255e-06 1.01508658344947e-06  2.25893629461125e-07 1.88973721988284e-07
-6.96428564282141e+00 9.45037789083962e-04  -1.64093143869355e+01   8.03799569765933e+00 8.03799569765933e+00  5.60355264481793e+00 5.60355264481793e+00  8.78081185269926e-03 8.81408870807801e-03  7.13281078804508e-03 7.13872292323449e-03  1.04719065095486e-06 1.02549779186867e-06  2.28210786435143e-07 1.90912208747188e-07
-6.95918359179590e+00 9.49871741153949e-04  -1.64093143869355e+01   8.03799576554552e+00 8.03799576554552e+00  5.60355278874603e+00 5.60355278874603e+00  8.82572652210727e-03 8.85917359206123e-03  7.16929598010148e-03 7.17523835976626e-03  1.05793113211016e-06 1.03601578422843e-06  2.30551716046312e-07 1.92870584213130e-07
-6.95408154077039e+00 9.54730419317309e-04  -1.64093143869355e+01   8.03799583422121e+00 8.03799583422121e+00  5.60355293439230e+00 5.60355293439230e+00  8.87087093480576e-03 8.90448909000806e-03  7.20596780125612e-03 7.21194058015890e-03  1.06878177439294e-06 1.04664165580704e-06  2.32916662267994e-07 1.94849052521113e-07
-6.94897948974487e+00 9.59613950050203e-04  -1.64093143869355e+01   8.03799590369463e+00 8.03799590369463e+00  5.60355308177471e+00 5.60355308177471e+00  8.91624626596518e-03 8.95003638154272e-03  7.24282720620014e-03 7.24883053989612e-03  1.07974370772016e-06 1.05737651311771e-06  2.35305871578972e-07 1.96847819902895e-07
-6.94387743871936e+00 9.64522460475728e-04  -1.64093143869355e+01   8.03799597397412e+00 8.03799597397412e+00  5.60355323091148e+00 5.60355323091148e+00  8.96185369676734e-03 8.99581665232352e-03  7.27987515450914e-03 7.28590919935022e-03  1.09081807359912e-06 1.06822147402394e-06  2.37719592989524e-07 1.98867094708861e-07
-6.93877538769385e+00 9.69456078367225e-04  -1.64093143869355e+01   8.03799604506701e+00 8.03799604506701e+00  5.60355338181818e+00 5.60355338181818e+00  9.00769441443394e-03 9.04183109407158e-03  7.31711261066201e-03 7.32317752380070e-03  1.10200602524288e-06 1.07917766785248e-06  2.40158078059873e-07 2.00907087422440e-07
-6.93367333666833e+00 9.74414932151608e-04  -1.64093143869355e+01   8.03799611596560e+00 8.03799611596560e+00  5.60355353187578e+00 5.60355353187578e+00  9.05376961022391e-03 9.08808090253908e-03  7.35454053829709e-03 7.36063647760936e-03  1.11330872456902e-06 1.09024623238278e-06  2.42621574119396e-07 2.02968004035206e-07
-6.92857128564282e+00 9.79399150912707e-04  -1.64093143869355e+01   8.03799618760124e+00 8.03799618760124e+00  5.60355368349810e+00 5.60355368349810e+00  9.10008048536675e-03 9.13456728352732e-03  7.39215991698114e-03 7.39828704122503e-03  1.12472735134694e-06 1.10142832301154e-06  2.45110343977058e-07 2.05050065289699e-07
-6.92346923461731e+00 9.84408864394627e-04  -1.64093143869355e+01   8.03799626007158e+00 8.03799626007158e+00  5.60355383693500e+00 5.60355383693500e+00  9.14662824557574e-03 9.18129144732094e-03  7.42997172658112e-03 7.43613019533488e-03  1.13626309491557e-06 1.11272510444950e-06  2.47624647618799e-07 2.07153488803910e-07
-6.91836718359180e+00 9.89444203005124e-04  -1.64093143869355e+01   8.03799633338536e+00 8.03799633338536e+00  5.60355399220557e+00 5.60355399220557e+00  9.19341410255328e-03 9.22825461021457e-03  7.46797695147101e-03 7.47416692513023e-03  1.14791715653978e-06 1.12413775308011e-06  2.50164747103383e-07 2.09278493848010e-07
-6.91326513256628e+00 9.94505297819003e-04  -1.64093143869355e+01   8.03799640755143e+00 8.03799640755143e+00  5.60355414932914e+00 5.60355414932914e+00  9.24043927419998e-03 9.27545799472452e-03  7.50617658106118e-03 7.51239822084292e-03  1.15969074980665e-06 1.13566745735387e-06  2.52730907181132e-07 2.11425301944916e-07
-6.90816308154077e+00 9.99592280581528e-04  -1.64093143869355e+01   8.03799648257872e+00 8.03799648257872e+00  5.60355430832520e+00 5.60355430832520e+00  9.28770498464634e-03 9.32290282962059e-03  7.54457160982401e-03 7.55082507777108e-03  1.17158510075176e-06 1.14731541791202e-06  2.55323395321418e-07 2.13594136893098e-07
-6.90306103051526e+00 1.00470528371185e-03  -1.64093143869355e+01   8.03799655847626e+00 8.03799655847626e+00  5.60355446921346e+00 5.60355446921346e+00  9.33521246428466e-03 9.37059034995815e-03  7.58316303731997e-03 7.58944849630513e-03  1.18360144798714e-06 1.15908284771166e-06  2.57942481740927e-07 2.15785224790247e-07
-6.89795897948974e+00 1.00984444030646e-03  -1.64093143869355e+01   8.03799663525317e+00 8.03799663525317e+00  5.60355463201384e+00 5.60355463201384e+00  9.38296294980103e-03 9.41852179711019e-03  7.62195186822354e-03 7.62826948195380e-03  1.19574104283001e-06 1.17097097215216e-06  2.60588439431586e-07 2.17998794056943e-07
-6.89285692846423e+00 1.01500988414264e-03  -1.64093143869355e+01   8.03799671291869e+00 8.03799671291869e+00  5.60355479674650e+00 5.60355479674650e+00  9.43095768420756e-03 9.46669841879970e-03  7.66093911234948e-03 7.66728904537035e-03  1.20800514943338e-06 1.18298102920271e-06  2.63261544189459e-07 2.20235075460434e-07
-6.88775487743872e+00 1.02020174968197e-03  -1.64093143869355e+01   8.03799679148212e+00 8.03799679148212e+00  5.60355496343176e+00 5.60355496343176e+00  9.47919791687474e-03 9.51512146913214e-03  7.70012578467907e-03 7.70650820237888e-03  1.22039504491756e-06 1.19511426953131e-06  2.65962074643279e-07 2.22494302138836e-07
-6.88265282641321e+00 1.02542017207380e-03  -1.64093143869355e+01   8.03799687095288e+00 8.03799687095288e+00  5.60355513209021e+00 5.60355513209021e+00  9.52768490356395e-03 9.56379220862811e-03  7.73951290538661e-03 7.74592797400086e-03  1.23291201950330e-06 1.20737195663511e-06  2.68690312283817e-07 2.24776709625635e-07
-6.87755077538769e+00 1.03066528715878e-03  -1.64093143869355e+01   8.03799695134048e+00 8.03799695134048e+00  5.60355530274261e+00 5.60355530274261e+00  9.57641990646015e-03 9.61271190425613e-03  7.77910149986596e-03 7.78554938648165e-03  1.24555737664611e-06 1.21975536697193e-06  2.71446541493183e-07 2.27082535874139e-07
-6.87244872436218e+00 1.03593723147241e-03  -1.64093143869355e+01   8.03799703265455e+00 8.03799703265455e+00  5.60355547540997e+00 5.60355547540997e+00  9.62540419420478e-03 9.66188182946565e-03  7.81889259875730e-03 7.82537347131730e-03  1.25833243317208e-06 1.23226579009328e-06  2.74231049574606e-07 2.29412021282553e-07
-6.86734667333667e+00 1.04123614224856e-03  -1.64093143869355e+01   8.03799711490480e+00 8.03799711490480e+00  5.60355565011352e+00 5.60355565011352e+00  9.67463904192876e-03 9.71130326422021e-03  7.85888723797396e-03 7.86540126528140e-03  1.27123851941508e-06 1.24490452877873e-06  2.77044126782584e-07 2.31765408719153e-07
-6.86224462231116e+00 1.04656215742310e-03  -1.64093143869355e+01   8.03799719810104e+00 8.03799719810104e+00  5.60355582687470e+00 5.60355582687470e+00  9.72412573128568e-03 9.76097749503075e-03  7.89908645872941e-03 7.90563381045214e-03  1.28427697935529e-06 1.25767289917154e-06  2.79886066353067e-07 2.34142943547552e-07
-6.85714257128564e+00 1.05191541563740e-03  -1.64093143869355e+01   8.03799728225321e+00 8.03799728225321e+00  5.60355600571519e+00 5.60355600571519e+00  9.77386555048520e-03 9.81090581498914e-03  7.93949130756443e-03 7.94607215423945e-03  1.29744917075924e-06 1.27057223091585e-06  2.82757164534323e-07 2.36544873652586e-07
-6.85204052026013e+00 1.05729605624205e-03  -1.64093143869355e+01   8.03799736737132e+00 8.03799736737132e+00  5.60355618665688e+00 5.60355618665688e+00  9.82385979432653e-03 9.86108952380175e-03  7.98010283637430e-03 7.98671734941218e-03  1.31075646532121e-06 1.28360386729511e-06  2.85657720617755e-07 2.38971449466104e-07
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3.08675487743872e+00 2.19058752574523e+01  -4.10848683047663e-01   -6.46013085480808e-21 -6.46013085480808e-21  7.76022584422458e-21 7.76022584422458e-21  -2.58381767922128e-17 -2.17865729224130e-17  3.13210727986217e-17 2.64992802308418e-17  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.09185692846423e+00 2.20179257513783e+01  -4.08757850405936e-01   -4.40901635253409e-21 -4.40901635253409e-21  5.29632537204231e-21 5.29632537204231e-21  -1.84515994302150e-17 -1.55445450609618e-17  2.23670442829792e-17 1.89070158691210e-17  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.09695897948975e+00 2.21305493935142e+01  -4.06677658132097e-01   -2.88072301873317e-21 -2.88072301873317e-21  3.46046416250843e-21 3.46046416250843e-21  -1.26172112507819e-17 -1.06199485678593e-17  1.52945877570017e-17 1.29171649670658e-17  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.10206103051526e+00 2.22437491155639e+01  -4.04608052076702e-01   -1.75625000440278e-21 -1.75625000440278e-21  2.10969220948849e-21 2.10969220948849e-21  -8.05222746868169e-18 -6.77155175398872e-18  9.76090896906729e-18 8.23631256892410e-18  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.10716308154077e+00 2.23575278642271e+01  -4.02548978365875e-01   -9.41727444494824e-22 -9.41727444494824e-22  1.13124819269268e-21 1.13124819269268e-21  -4.52086368175724e-18 -3.79843576662765e-18  5.48018817263316e-18 4.62007722133178e-18  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.11226513256628e+00 2.24718886012764e+01  -4.00500383399905e-01   -3.63403895863523e-22 -3.63403895863523e-22  4.36538109296087e-22 4.36538109296087e-22  -1.82705205828834e-18 -1.53371117470395e-18  2.21475054614424e-18 1.86546826293795e-18  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.11736718359180e+00 2.25868343036339e+01  -3.98462213851857e-01   3.64129772037770e-23 3.64129772037770e-23  -4.37409981295947e-23 -4.37409981295947e-23  1.91778308766159e-19 1.60841900385596e-19  -2.32473375170578e-19 -1.95633542198441e-19  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.12246923461731e+00 2.27023679634491e+01  -3.96434416666178e-01   3.02636258687299e-22 3.02636258687299e-22  -3.63540983083553e-22 -3.63540983083553e-22  1.67000441352293e-18 1.39933894823861e-18  -2.02437610036821e-18 -1.70202874149792e-18  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.12757128564282e+00 2.28184925881764e+01  -3.94416939057317e-01   4.70043487485337e-22 4.70043487485337e-22  -5.64638358260095e-22 -5.64638358260095e-22  2.71832374032096e-18 2.27567322175471e-18  -3.29514561356156e-18 -2.76792116025834e-18  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.13267333666833e+00 2.29352112006538e+01  -3.92409728508352e-01   5.65402198926466e-22 5.65402198926466e-22  -6.79187609618918e-22 -6.79187609618918e-22  3.42759104047319e-18 2.86681160787240e-18  -4.15491637068499e-18 -3.48692675401965e-18  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.13777538769385e+00 2.30525268391812e+01  -3.90412732769624e-01   6.09174276122102e-22 6.09174276122102e-22  -7.31768553442601e-22 -7.31768553442601e-22  3.87207361740814e-18 3.23558792081672e-18  -4.69371539983957e-18 -3.93547115971159e-18  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.14287743871936e+00 2.31704425576000e+01  -3.88425899857375e-01   6.16878674887296e-22 6.16878674887296e-22  -7.41023312950515e-22 -7.41023312950515e-22  4.11220828257085e-18 3.43306595338798e-18  -4.98480431709308e-18 -4.17566393022548e-18  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.14797948974487e+00 2.32889614253718e+01  -3.86449178052394e-01   6.00177687029567e-22 6.00177687029567e-22  -7.20961194166147e-22 -7.20961194166147e-22  4.19693187284414e-18 3.50053475231527e-18  -5.08750440571322e-18 -4.25772543226516e-18  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.15308154077039e+00 2.34080865276591e+01  -3.84482515898674e-01   5.67740009089694e-22 5.67740009089694e-22  -6.81995448480915e-22 -6.81995448480915e-22  4.16564738418097e-18 3.47118998064409e-18  -5.04957998315348e-18 -4.22203192301333e-18  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.15818359179590e+00 2.35278209654052e+01  -3.82525862202068e-01   5.25924072545861e-22 5.25924072545861e-22  -6.31764123712840e-22 -6.31764123712840e-22  4.04987922215172e-18 3.37154775602555e-18  -4.90924491065990e-18 -4.10083523004812e-18  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.16328564282141e+00 2.36481678554150e+01  -3.80579166028962e-01   4.79317023731655e-22 4.79317023731655e-22  -5.75777513989315e-22 -5.75777513989315e-22  3.87466371131962e-18 3.22263092759279e-18  -4.69684817978610e-18 -3.91970564248547e-18  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.16838769384692e+00 2.37691303304361e+01  -3.78642376704944e-01   4.31158077725527e-22 4.31158077725527e-22  -5.17926713608132e-22 -5.17926713608132e-22  3.65971435926179e-18 3.04096196663133e-18  -4.43628645350013e-18 -3.69873958176833e-18  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.17348974487244e+00 2.38907115392404e+01  -3.76715443813488e-01   3.83669563754155e-22 3.83669563754155e-22  -4.60881285173725e-22 -4.60881285173725e-22  3.42039606399065e-18 2.83939201275935e-18  -4.14618500617233e-18 -3.45356798460794e-18  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.17859179589795e+00 2.40129146467061e+01  -3.74798317194640e-01   3.38314497774454e-22 3.38314497774454e-22  -4.06398668420191e-22 -4.06398668420191e-22  3.16853745604681e-18 2.62779127429984e-18  -3.84088244864604e-18 -3.19619604798095e-18  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.18369384692346e+00 2.41357428339000e+01  -3.72890946943713e-01   2.95986408375760e-22 2.95986408375760e-22  -3.55552208366125e-22 -3.55552208366125e-22  2.91301321068797e-18 2.41354514808581e-18  -3.53113661073723e-18 -2.93560666822787e-18  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.18879589794897e+00 2.42591992981602e+01  -3.70993283409989e-01   2.57214242969566e-22 2.57214242969566e-22  -3.08977298199272e-22 -3.08977298199272e-22  2.66081597274792e-18 2.20245294924400e-18  -3.22542392456782e-18 -2.67885357272003e-18  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.19389794897449e+00 2.43832872531797e+01  -3.69105277195424e-01   2.22100821119013e-22 2.22100821119013e-22  -2.66797447127855e-22 -2.66797447127855e-22  2.41586597211481e-18 1.99774724763296e-18  -2.92849645473089e-18 -2.42986853985636e-18  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.19900000000000e+00 2.45080099290896e+01  -3.67226879153363e-01   1.92632858742987e-22 1.92632858742987e-22  -2.31399184896143e-22 -2.31399184896143e-22  2.19999711660004e-18 1.81752831388995e-18  -2.66682109924121e-18 -2.21066699099957e-18  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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-6.99489794897449e+00 9.16546322647843e-04  3.15899967183008e-02
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3.19900000000000e+00 2.45080099290896e+01  3.17214116253762e-17
density.PCC>