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

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

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

 <<< Atom >>>
 AtomSpecies                 89
 max.ocupied.N               7
 total.electron              89.0000
 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  6.0000  1.0000  0.0000  0.0000  0.0000 
 7  2.0000  0.0000  0.0000  0.0000  0.0000  0.0000  0.0000 
 ocupied.electrons>

 <<< parameters for solving 1D-differential equations >>>
 grid.xmin                   -7.500
 grid.xmax                    3.800
 grid.num                    14000
 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                  6
 <pseudo.NandL
  0    5   2   1.5000
  1    5   3   1.5000
  2    6   0   1.8000
  3    6   1   1.8000
  4    6   2   1.8000
  5    7   0   1.8000
 pseudo.NandL>
 Blochl.projector.num        2
 local.type                  Polynomial
 local.part.vps              6
 local.cutoff                1.50000
 local.origin.ratio          2.70000
 log.deri.RadF.calc          ON
 log.deri.MinE               -3.80000
 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     -3782.6896164074133    -3782.6896164074133
 n=  2  l=  0      -695.0382196082021     -695.0382196082021
 n=  2  l=  1      -567.0439510248370     -682.4674481172890
 n=  3  l=  0      -174.7281772520354     -174.7281772520354
 n=  3  l=  1      -140.1233137121970     -165.9066644533848
 n=  3  l=  2      -114.4436450453808     -119.7256221495473
 n=  4  l=  0       -42.8996726556413      -42.8996726556413
 n=  4  l=  1       -31.7920452326416      -38.7019066093662
 n=  4  l=  2       -22.0452843334489      -23.3444678015129
 n=  4  l=  3       -11.1768222781919      -11.5158305171852
 n=  5  l=  0        -9.2155345299740       -9.2155345299740
 n=  5  l=  1        -5.9200168760193       -7.5054918492106
 n=  5  l=  2        -2.8027882147058       -3.0361413342966
 n=  6  l=  0        -1.4202470903905       -1.4202470903905
 n=  6  l=  1        -0.6739286137949       -0.9237291414459
 n=  6  l=  2        -0.0864097732368       -0.1007264785198
 n=  7  l=  0        -0.1473533053041       -0.1473533053041


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

 Eeigen =   -15921.3850106764639
 Ekin   =    29842.6583141311567
 EHart  =     9717.6253767914313
 Exc    =     -298.7804271564091
 Eec    =   -64815.5754427767461
 Etot   = Ekin + EHart + Exc + Eec
 Etot   =   -25554.0721790105672


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

j.dependent.pseudo.potentials   on

<VPS> L=0, dif of log deris for all electrons = 3584.3649837851 3584.3649837851
<VPS> L=0, dif of log deris for semi local    = 2600.6625601729 2600.6625601729
<VPS> L=1, dif of log deris for all electrons =    1.1826800225    5.2033506255
<VPS> L=1, dif of log deris for semi local    =    0.2061016835    1.1950946693
<VPS> L=2, dif of log deris for all electrons = 9796.8985943766 3275.5050103669
<VPS> L=2, dif of log deris for semi local    =    4.8932274955 20130.3546343281
<VPS> L=3, dif of log deris for all electrons =    0.1075336725   81.7833996880
<VPS> L=3, dif of log deris for semi local    =    0.0137997389   58.7166683554

<project.energies
 8
 0    7.06676535591856e-01   7.06676535591856e-01
 0    1.50992106364439e+00   1.50992106364439e+00
 1    1.35200029913609e+00   1.04934831891368e+00
 1    2.32176238120522e+00   1.96717988637633e+00
 2    7.66430124255892e-01   8.54231511603897e-01
 2    1.82093920589430e+00   1.94679793826255e+00
 3    1.91390762425033e+00   2.02710162850721e+00
 3    8.04047827703113e+00   8.92685214887049e+00
project.energies>

<Pseudo.Potentials
-7.50000000000000e+00 5.53084370147834e-04  -3.77902968831179e+01   5.16338561544524e+00 5.16338561544524e+00  8.20527099016381e+00 8.20527099016381e+00  3.75563596327681e-03 4.51742900213156e-03  8.16212023850501e-03 8.95199448706601e-03  1.27759003381384e-05 1.13120529902788e-05  1.88019884170507e-05 1.73929133783118e-05  1.81013129231756e-09 1.30079790224229e-09  1.20631713249570e-09 1.32760449240710e-10
-7.49434767383692e+00 5.56219435262105e-04  -3.77902968831179e+01   5.16338564062660e+00 5.16338564062660e+00  8.20527102316769e+00 8.20527102316769e+00  3.77692414928698e-03 4.54303528784945e-03  8.20838582672255e-03 9.00273735293357e-03  1.29211467644138e-05 1.14406572434465e-05  1.90157440322557e-05 1.75906494926608e-05  1.84108733366561e-09 1.32304354887073e-09  1.22694697064036e-09 1.35030817309140e-10
-7.48869534767384e+00 5.59372270962206e-04  -3.77902968831179e+01   5.16338566541589e+00 5.16338566541589e+00  8.20527105365869e+00 8.20527105365869e+00  3.79833300318934e-03 4.56878671788151e-03  8.25491366033831e-03 9.05376784287076e-03  1.30680444559450e-05 1.15707235596086e-05  1.92319297477756e-05 1.77906335783802e-05  1.87257276533830e-09 1.34566962427693e-09  1.24792959294988e-09 1.37339999906133e-10
-7.48304302151076e+00 5.62542977977695e-04  -3.77902968831179e+01   5.16338568980481e+00 5.16338568980481e+00  8.20527108159187e+00 8.20527108159187e+00  3.81986320895284e-03 4.59468411493634e-03  8.30170522575488e-03 9.10508758713256e-03  1.32166121852268e-05 1.17022685602235e-05  1.94505731893134e-05 1.79928911903317e-05  1.90459664043134e-09 1.36868263407030e-09  1.26927103168745e-09 1.39688660214559e-10
-7.47739069534767e+00 5.65731657609095e-04  -3.77902968831179e+01   5.16338571378495e+00 5.16338571378495e+00  8.20527110692168e+00 8.20527110692168e+00  3.84151545442304e-03 4.62072830638556e-03  8.34876201779830e-03 9.15669822521273e-03  1.33668689381629e-05 1.18353090557026e-05  1.96717022965948e-05 1.81974481738496e-05  1.93716816685079e-09 1.39208919510419e-09  1.29097742224293e-09 1.42077472735398e-10
-7.47173836918459e+00 5.68938411731139e-04  -3.77902968831179e+01   5.16338573712041e+00 5.16338573712041e+00  8.20527112863406e+00 8.20527112863406e+00  3.86329043114785e-03 4.64692012406742e-03  8.39608553870557e-03 9.20860140477585e-03  1.35188339136022e-05 1.19698620443524e-05  1.98953453142705e-05 1.84043306532571e-05  1.97029670805719e-09 1.41589603538442e-09  1.31305499915478e-09 1.44507119575114e-10
-7.46608604302151e+00 5.72163342796015e-04  -3.77902968831179e+01   5.16338576024802e+00 5.16338576024802e+00  8.20527114857883e+00 8.20527114857883e+00  3.88518883517537e-03 4.67326040519415e-03  8.44367730236435e-03 9.26079878613926e-03  1.36725265372005e-05 1.21059447272036e-05  2.01215308455340e-05 1.86135650935722e-05  2.00399179325966e-09 1.44011000386224e-09  1.33551012053158e-09 1.46978306036739e-10
-7.46043371685843e+00 5.75406553836648e-04  -3.77902968831179e+01   5.16338578367718e+00 5.16338578367718e+00  8.20527116891475e+00 8.20527116891475e+00  3.90721136656875e-03 4.69974999180265e-03  8.49153883161987e-03 9.31329203942918e-03  1.38279664565865e-05 1.22435745020929e-05  2.03502878237072e-05 1.88251782664601e-05  2.03826311544144e-09 1.46473806746507e-09  1.35834925565916e-09 1.49491751147685e-10
-7.45478139069535e+00 5.78668148469984e-04  -3.77902968831179e+01   5.16338580741154e+00 5.16338580741154e+00  8.20527118964719e+00 8.20527118964719e+00  3.92935872892283e-03 4.72638973020718e-03  8.53967165559040e-03 9.36608284174616e-03  1.39851735363282e-05 1.23827689575142e-05  2.05816454828605e-05 1.90391972150476e-05  2.07312052911568e-09 1.48978730782912e-09  1.38157897168330e-09 1.52048177540866e-10
-7.44912906453227e+00 5.81948230900308e-04  -3.77902968831179e+01   5.16338583145477e+00 5.16338583145477e+00  8.20527121078159e+00 8.20527121078159e+00  3.95163162982065e-03 4.75318047151923e-03  8.58807731206172e-03 9.41917287969710e-03  1.41441678668280e-05 1.25235458819199e-05  2.08156333894172e-05 1.92556492899053e-05  2.10857405732205e-09 1.51526492769670e-09  1.40520594805597e-09 1.54648320206021e-10
-7.44347673836918e+00 5.85246905922565e-04  -3.77902968831179e+01   5.16338585581062e+00 5.16338585581062e+00  8.20527123232345e+00 8.20527123232345e+00  3.97403078085605e-03 4.78012307167468e-03  8.63675734753627e-03 9.47256384944917e-03  1.43049697668904e-05 1.26659232659939e-05  2.10522814459313e-05 1.94745621525429e-05  2.14463389450887e-09 1.54117825298737e-09  1.42923697845617e-09 1.57292926701127e-10
-7.43782441220610e+00 5.88564278925717e-04  -3.77902968831179e+01   5.16338588048284e+00 5.16338588048284e+00  8.20527125427833e+00 8.20527125427833e+00  3.99655689765644e-03 4.80721839146120e-03  8.68571331728258e-03 9.52625745678406e-03  1.44675997863186e-05 1.28099193049513e-05  2.12916198949098e-05 1.96959637789450e-05  2.18131040946446e-09 1.56753473490441e-09  1.45367897274333e-09 1.59982757367243e-10
-7.43217208604302e+00 5.91900455896101e-04  -3.77902968831179e+01   5.16338590547528e+00 5.16338590547528e+00  8.20527127665189e+00 8.20527127665189e+00  4.01921069990565e-03 4.83446729654569e-03  8.73494678538493e-03 9.58025541715241e-03  1.46320787085403e-05 1.29555524008627e-05  2.15336793226765e-05 1.99198824631450e-05  2.21861414829855e-09 1.59434195207733e-09  1.47853895894402e-09 1.62718585547096e-10
-7.42651975987994e+00 5.95255543420822e-04  -3.77902968831179e+01   5.16338593079178e+00 5.16338593079178e+00  8.20527129944981e+00 8.20527129944981e+00  4.04199291136690e-03 4.86187065750198e-03  8.78445932479332e-03 9.63455945572861e-03  1.47984275532644e-05 1.31028411650066e-05  2.17784906632813e-05 2.01463468208416e-05  2.25655583747476e-09 1.62160761274108e-09  1.50382408527284e-09 1.65501197807458e-10
-7.42086743371686e+00 5.98629648691156e-04  -3.77902968831179e+01   5.16338595643625e+00 5.16338595643625e+00  8.20527132267789e+00 8.20527132267789e+00  4.06490425990596e-03 4.88942934983864e-03  8.83425251737374e-03 9.68917130746600e-03  1.49666675791664e-05 1.32518044202478e-05  2.20260852024532e-05 2.03753857930558e-05  2.29514638689493e-09 1.64933955695246e-09  1.52954162218775e-09 1.68331394165173e-10
-7.41521510755378e+00 6.02022879505975e-04  -3.77902968831179e+01   5.16338598241265e+00 5.16338598241265e+00  8.20527134634198e+00 8.20527134634198e+00  4.08794547751437e-03 4.91714425402692e-03  8.88432795395872e-03 9.74409271715222e-03  1.51368202866059e-05 1.34024612034421e-05  2.22764945815985e-05 2.06070286498286e-05  2.33439689303608e-09 1.67754575884444e-09  1.55569896448050e-09 1.71209988317245e-10
-7.40956278139070e+00 6.05435344275189e-04  -3.77902968831179e+01   5.16338600872498e+00 5.16338600872498e+00  8.20527137044798e+00 8.20527137044798e+00  4.11111730033286e-03 4.94501625552894e-03  8.93468723439813e-03 9.79932543946499e-03  1.53089074203735e-05 1.35548307678701e-05  2.25297508018443e-05 2.08413049939623e-05  2.37431864214122e-09 1.70623432891910e-09  1.58230363340300e-09 1.74137807874748e-10
-7.40391045522761e+00 6.08867152023213e-04  -3.77902968831179e+01   5.16338603537729e+00 5.16338603537729e+00  8.20527139500191e+00 8.20527139500191e+00  4.13442046867484e-03 4.97304624482592e-03  8.98533196761027e-03 9.85487123902818e-03  1.54829509724702e-05 1.37089325856969e-05  2.27858862281276e-05 2.10782447648028e-05  2.41492311346454e-09 1.73541351637961e-09  1.60936327882975e-09 1.77115694600571e-10
-7.39825812906453e+00 6.12318412392447e-04  -3.77902968831179e+01   5.16338606237367e+00 5.16338606237367e+00  8.20527142000982e+00 8.20527142000982e+00  4.15785572705006e-03 5.00123511744665e-03  9.03626377163333e-03 9.91073189046812e-03  1.56589731849173e-05 1.38647863504609e-05  2.30449335933318e-05 2.13178782420662e-05  2.45622198257221e-09 1.76509171150232e-09  1.63688568145769e-09 1.80144504651638e-10
-7.39260580290145e+00 6.15789235646781e-04  -3.77902968831179e+01   5.16338608971826e+00 5.16338608971826e+00  8.20527144547787e+00 8.20527144547787e+00  4.18142382418841e-03 5.02958377399616e-03  9.08748427367709e-03 9.96690917847045e-03  1.58369965525995e-05 1.40224119795903e-05  2.33069260024700e-05 2.15602360497085e-05  2.49822712469961e-09 1.79527744804936e-09  1.66487875504325e-09 1.83225108825018e-10
-7.38695347673837e+00 6.19279732675118e-04  -3.77902968831179e+01   5.16338611741525e+00 5.16338611741525e+00  8.20527147141225e+00 8.20527147141225e+00  4.20512551306384e-03 5.05809312018437e-03  9.13899511017481e-03 1.00234048978369e-02  1.60170438261390e-05 1.41818296169484e-05  2.35718969369147e-05 2.18053491598373e-05  2.54095061816585e-09 1.82597940572219e-09  1.69335054867762e-09 1.86358392807938e-10
-7.38130115057529e+00 6.22790014994913e-04  -3.77902968831179e+01   5.16338614546888e+00 5.16338614546888e+00  8.20527149781928e+00 8.20527149781928e+00  4.22896155091838e-03 5.08676406685516e-03  9.19079792683561e-03 1.00802208535430e-02  1.61991380148031e-05 1.43430596354083e-05  2.38398802586772e-05 2.20532488966731e-05  2.58440474784695e-09 1.85720641265768e-09  1.72230924910168e-09 1.89545257432897e-10
-7.37564882441221e+00 6.26320194755743e-04  -3.77902968831179e+01   5.16338617388345e+00 5.16338617388345e+00  8.20527152470533e+00 8.20527152470533e+00  4.25293269928640e-03 5.11559753001537e-03  9.24289437869704e-03 1.01373588607953e-02  1.63833023894448e-05 1.45061226394557e-05  2.41109102147345e-05 2.23039669405486e-05  2.62860200870814e-09 1.88896744796631e-09  1.75176318305940e-09 1.92786618936198e-10
-7.36999649824912e+00 6.29870384742884e-04  -3.77902968831179e+01   5.16338620266329e+00 5.16338620266329e+00  8.20527155207683e+00 8.20527155207683e+00  4.27703972401887e-03 5.14459443086414e-03  9.29528613017790e-03 1.01948207450897e-02  1.65695604854763e-05 1.46710394678226e-05  2.43850214414062e-05 2.25575353319602e-05  2.67355510939668e-09 1.92127164431419e-09  1.78172081969230e-09 1.96083409221629e-10
-7.36434417208604e+00 6.33440698380914e-04  -3.77902968831179e+01   5.16338623181278e+00 5.16338623181278e+00  8.20527157994033e+00 8.20527157994033e+00  4.30128339530786e-03 5.17375569582228e-03  9.34797485513146e-03 1.02526083422696e-02  1.67579361058769e-05 1.48378311961500e-05  2.46622489687804e-05 2.28139864756607e-05  2.71927697589615e-09 1.95412829054892e-09  1.81219077297458e-09 1.99436576128158e-10
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3.61247323661831e+00 3.70575917623558e+01  -5.66685502272808e-01   7.36758058500594e-31 7.36758058500594e-31  -7.95155414289228e-31 -7.95155414289228e-31  5.29769520628032e-23 5.00309841625688e-26  -5.60108685382030e-23 -5.33316440699096e-26  1.13822271158916e-41 3.97468870551973e-43  -1.63940577731954e-41 -6.10627074140428e-43  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.61812556278139e+00 3.72676464473616e+01  -5.63491446408894e-01   5.17222215880086e-31 5.17222215880086e-31  -5.58218654784856e-31 -5.58218654784856e-31  4.12832338597251e-23 3.74741111948956e-26  -4.36474744388697e-23 -3.99463708520491e-26  7.00310351753153e-42 2.40067826510150e-43  -1.00867198085663e-41 -3.68813780869154e-43  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
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3.64638719359680e+00 3.83359153198493e+01  -5.47789189998626e-01   8.57241097517762e-32 8.57241097517762e-32  -9.25188876777067e-32 -9.25188876777067e-32  1.16294079251478e-23 8.63254586951638e-27  -1.22954198099657e-23 -9.20206274314229e-27  5.93918829644109e-43 1.85343143848140e-44  -8.55435902433668e-43 -2.84741589890187e-44  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
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3.65769184592296e+00 3.87717483431094e+01  -5.41631494538012e-01   4.12130423872304e-32 4.12130423872304e-32  -4.44797349316317e-32 -4.44797349316317e-32  6.94026284594672e-24 4.74616029654703e-27  -7.33773143183858e-24 -5.05928119058884e-27  2.17327367158524e-43 6.52751203203891e-45  -3.13022227415848e-43 -1.00281894991576e-44  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.66334417208604e+00 3.89915194344843e+01  -5.38578652627837e-01   2.84925690207575e-32 2.84925690207575e-32  -3.07509948913149e-32 -3.07509948913149e-32  5.35050538857459e-24 3.51082828944033e-27  -5.65692950638141e-24 -3.74245049880828e-27  1.30940107630537e-43 3.85774104615842e-45  -1.88596505112806e-43 -5.92663465821853e-45  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
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3.69160580290145e+00 4.01092027462462e+01  -5.23570616295363e-01   4.36864222779457e-33 4.36864222779457e-33  -4.71491941713272e-33 -4.71491941713272e-33  1.42710924601794e-24 7.59015618937428e-28  -1.50884112660984e-24 -8.09091207734837e-28  9.98316434828121e-45 2.66690705974418e-46  -1.43790466606361e-44 -4.09717121544132e-46  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.69725812906453e+00 4.03365549714725e+01  -5.20619572390986e-01   2.98444460533017e-33 2.98444460533017e-33  -3.22100473558863e-33 -3.22100473558863e-33  1.09103932288678e-24 5.56024047430366e-28  -1.15352433833383e-24 -5.92707470841987e-28  5.91759656761876e-45 1.54970182439669e-46  -8.52329279997277e-45 -2.38080925349524e-46  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.70291045522761e+00 4.05651959042965e+01  -5.17685161696825e-01   2.03470362107860e-33 2.03470362107860e-33  -2.19598335816145e-33 -2.19598335816145e-33  8.32925408687789e-25 4.06648423218557e-28  -8.80628089650427e-25 -4.33476917771216e-28  3.49800767731540e-45 8.97928888809678e-47  -5.03828804976317e-45 -1.37949022074095e-46  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.70856278139069e+00 4.07951328495390e+01  -5.14767290461755e-01   1.38437812300892e-33 1.38437812300892e-33  -1.49411029951168e-33 -1.49411029951168e-33  6.34966777054192e-25 2.96909038119485e-28  -6.71332219189530e-25 -3.16497554790839e-28  2.06199782113669e-45 5.18779534900563e-47  -2.96996011515312e-45 -7.97002604156785e-47  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.71421510755378e+00 4.10263731534269e+01  -5.11865865463070e-01   9.39982026096959e-34 9.39982026096959e-34  -1.01448942951849e-33 -1.01448942951849e-33  4.83361131001323e-25 2.16422636202778e-28  -5.11043979719051e-25 -2.30701108124304e-28  1.21210829385948e-45 2.98857625927897e-47  -1.74583830004132e-45 -4.59136129657296e-47  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.71986743371686e+00 4.12589242038282e+01  -5.08980794003503e-01   6.36928845448029e-34 6.36928845448029e-34  -6.87414897072632e-34 -6.87414897072632e-34  3.67421785040422e-25 1.57490005932949e-28  -3.88464663028165e-25 -1.67880422508433e-28  7.10516436551419e-46 1.71664288464604e-47  -1.02337994225439e-45 -2.63728646015675e-47  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.72551975987994e+00 4.14927934304875e+01  -5.06111983908262e-01   4.30689321988257e-34 4.30689321988257e-34  -4.64827882156903e-34 -4.64827882156903e-34  2.78886279828928e-25 1.14411705757218e-28  -2.94858620174217e-25 -1.21960043554642e-28  4.15317277571231e-46 9.83157608941055e-48  -5.98195232039122e-46 -1.51043037719125e-47  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.73117208604302e+00 4.17279883052637e+01  -5.03259343522090e-01   2.90625928035999e-34 2.90625928035999e-34  -3.13662404687555e-34 -3.13662404687555e-34  2.11375699112769e-25 8.29757409967719e-29  -2.23481614367881e-25 -8.84500953685205e-29  2.42076526680433e-46 5.61419295139808e-48  -3.48670981223607e-46 -8.62511947077014e-48  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.73682441220610e+00 4.19645163423688e+01  -5.00422781706331e-01   1.95702736709660e-34 1.95702736709660e-34  -2.11215143951632e-34 -2.11215143951632e-34  1.59972452888852e-25 6.00746279525674e-29  -1.69134424368985e-25 -6.40380813273714e-29  1.40697308518004e-46 3.19643537168621e-48  -2.02651157644665e-46 -4.91070594959174e-48  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.74247673836918e+00 4.22023850986077e+01  -4.97602207836026e-01   1.31506411888288e-34 1.31506411888288e-34  -1.41930301976631e-34 -1.41930301976631e-34  1.20891050651653e-25 4.34196527678505e-29  -1.27814763315380e-25 -4.62842917712842e-29  8.15404148315167e-47 1.81448045230207e-48  -1.17445502339975e-46 -2.78760035503265e-48  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.74812906453227e+00 4.24416021736198e+01  -4.94797531797006e-01   8.81819333907065e-35 8.81819333907065e-35  -9.51717069186566e-35 -9.51717069186566e-35  9.12217604116509e-26 3.13280182779034e-29  -9.64462573549750e-26 -3.33949082784685e-29  4.71202534020676e-47 1.02692746754467e-48  -6.78689708163328e-47 -1.57767739129951e-48  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.75378139069535e+00 4.26821752101219e+01  -4.92008663983027e-01   5.90051749889931e-35 5.90051749889931e-35  -6.36822483335836e-35 -6.36822483335836e-35  6.87313116347227e-26 2.25645574414795e-29  -7.26677350083314e-26 -2.40532744210933e-29  2.71508492594698e-47 5.79457600158043e-49  -3.91063458388609e-47 -8.90226070210771e-49  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.75943371685843e+00 4.29241118941521e+01  -4.89235515292896e-01   3.93979372157831e-35 3.93979372157831e-35  -4.25208377206730e-35 -4.25208377206730e-35  5.17081774748874e-26 1.62242271554888e-29  -5.46696488146886e-26 -1.72946372988401e-29  1.55988943546550e-47 3.25980219812795e-49  -2.24676580703499e-47 -5.00806671003910e-49  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.76508604302151e+00 4.31674199553155e+01  -4.86477997127627e-01   2.62497269541427e-35 2.62497269541427e-35  -2.83304296863921e-35 -2.83304296863921e-35  3.88426434944046e-26 1.16450267188116e-29  -4.10672756427483e-26 -1.24133209247842e-29  8.93577612106739e-48 1.82827604030515e-49  -1.28705302123731e-47 -2.80880012421135e-49  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.77073836918459e+00 4.34121071670312e+01  -4.83736021387617e-01   1.74517478763433e-35 1.74517478763433e-35  -1.88350745686950e-35 -1.88350745686950e-35  2.91339806914058e-26 8.34357555298606e-30  -3.08025735431045e-26 -8.89405376945660e-30  5.10378355601709e-48 1.02227192487750e-49  -7.35117186620776e-48 -1.57052809986065e-49  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.77639069534767e+00 4.36581813467807e+01  -4.81009500469820e-01   1.15773871843170e-35 1.15773871843170e-35  -1.24950792167708e-35 -1.24950792167708e-35  2.18187054269886e-26 5.96753733660801e-30  -2.30683331279254e-26 -6.36125413145671e-30  2.90647875644103e-48 5.69847210452562e-50  -4.18631254622869e-48 -8.75463234813946e-50  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.78204302151075e+00 4.39056503563574e+01  -4.78298347264959e-01   7.66361661275193e-36 7.66361661275193e-36  -8.27108089429608e-36 -8.27108089429608e-36  1.63152200290184e-26 4.26054694900986e-30  -1.72496477371214e-26 -4.54164317049292e-30  1.65025272525243e-48 3.16672905109089e-50  -2.37692304879636e-48 -4.86508687098650e-50  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.78769534767384e+00 4.41545221021180e+01  -4.75602475154735e-01   5.06174967307463e-36 5.06174967307463e-36  -5.46297488037968e-36 -5.46297488037968e-36  1.21811521590081e-26 3.03639798571107e-30  -1.28788096191680e-26 -3.23672946533318e-30  9.34188725049731e-49 1.75434812780023e-50  -1.34554879279863e-48 -2.69522903812108e-50  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.79334767383692e+00 4.44048045352353e+01  -4.72921798009064e-01   3.33704092520511e-36 3.33704092520511e-36  -3.60155552408777e-36 -3.60155552408777e-36  9.08213774850031e-27 2.16057251336141e-30  -9.60230505732284e-27 -2.30312020783244e-30  5.27557045081139e-49 9.69472050624373e-51  -7.59861467222786e-49 -1.48941388212531e-50  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.79900000000000e+00 4.46565056519514e+01  -4.70256230183325e-01   2.46174444763648e-36 2.46174444763648e-36  -2.65687786216333e-36 -2.65687786216333e-36  6.82914938845995e-27 1.55146771376908e-30  -7.22028077920362e-27 -1.65382881159977e-30  3.48254074523416e-49 6.29760026072904e-51  -5.01604432420865e-49 -9.67509857339708e-51  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  5.23016968551210e-26
density.PCC>