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

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

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

 <<< Atom >>>
 AtomSpecies                 18
 max.ocupied.N               3
 total.electron              18.0000
 valence.electron            8.0000

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

 <<< parameters for solving 1D-differential equations >>>
 grid.xmin                   -7.000
 grid.xmax                    2.800
 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       0.80000
 scf.Mixing.History          7
 scf.Mixing.StartPulay       4
 scf.criterion               0.00000000001000

 <<< Pseudo potential >>>
 vps.type                    TM
 number.vps                  3
 <pseudo.NandL
  0    3   0   1.2000
  1    3   1   1.2500
  2    3   2   1.7500
 pseudo.NandL>
 Blochl.projector.num        2
 local.type                  Polynomial
 local.part.vps              3
 local.cutoff                1.60000
 local.origin.ratio          3.10000
 log.deri.RadF.calc          ON
 log.deri.MinE               -2.00000
 log.deri.MaxE               2.00000
 log.deri.num                50
 <log.deri.R
  0   2.3000  2.3000
  1   2.3000  2.3000
  2   2.3000  2.3000
 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                   0.02000
 pcc.ratio.origin            15.00000

 <<< 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      
***************************************************


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

                         j=l+1/2                j=l-1/2
 n=  1  l=  0      -111.1220511273619     -111.1220511273619
 n=  2  l=  0       -10.7434811982652      -10.7434811982652
 n=  2  l=  1        -8.4918284685096       -8.5722812047832
 n=  3  l=  0        -0.8838781329691       -0.8838781329691
 n=  3  l=  1        -0.3909259683005       -0.3973426476103


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

 Eeigen =     -299.0559557848031
 Ekin   =      522.3166142739711
 EHart  =      232.5319248317361
 Exc    =      -26.0498607881728
 Eec    =    -1253.6685033702925
 Etot   = Ekin + EHart + Exc + Eec
 Etot   =     -524.8698250527581


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

j.dependent.pseudo.potentials   on

<VPS> L=0, dif of log deris for all electrons = 1023.2057152041 1023.2057152041
<VPS> L=0, dif of log deris for semi local    =   17.8351028506   17.8351028506
<VPS> L=1, dif of log deris for all electrons =    3.5928929412   38.6010780081
<VPS> L=1, dif of log deris for semi local    =    0.7431752077    4.1114475541
<VPS> L=2, dif of log deris for all electrons =    9.1821738834    7.8299807062
<VPS> L=2, dif of log deris for semi local    =    0.6921650082    0.6918626832

<project.energies
 6
 0    8.54209485687855e-01   8.54209485687855e-01
 0    1.71323926814127e+00   1.71323926814127e+00
 1    1.50150172415500e+00   1.48657583360250e+00
 1    4.02736288148411e+00   3.95232841089028e+00
 2    5.28202561593438e+00   5.29301380380258e+00
 2    9.17357346378064e+00   9.26480151379606e+00
project.energies>

<Pseudo.Potentials
-7.00000000000000e+00 9.11881965554516e-04  -1.55075161259420e+01   6.12393851575479e+00 6.12393851575479e+00  7.96587306556630e+00 7.96587306556630e+00  8.18356408324277e-03 8.27533210406895e-03  9.08753352842603e-03 9.26123571974563e-03  1.48441591253797e-06 1.46997810154715e-06  2.06839132258528e-06 2.02972880777771e-06
-6.99509804902451e+00 9.16362940030878e-04  -1.55075161259420e+01   6.12393861461392e+00 6.12393861461392e+00  7.96587323771005e+00 7.96587323771005e+00  8.22377801264046e-03 8.31599698034495e-03  9.13218965618229e-03 9.30674541971536e-03  1.49904062590530e-06 1.48446057218363e-06  2.08876971473602e-06 2.04972629132633e-06
-6.99019609804902e+00 9.20865933949467e-04  -1.55075161259420e+01   6.12393871446575e+00 6.12393871446575e+00  7.96587341161932e+00 7.96587341161932e+00  8.26418955298752e-03 8.35686168351994e-03  9.17706522546741e-03 9.35247875569109e-03  1.51380942521132e-06 1.49908572737239e-06  2.10934888468044e-06 2.06992079989189e-06
-6.98529414707354e+00 9.25391055513494e-04  -1.55075161259420e+01   6.12393881532014e+00 6.12393881532014e+00  7.96587358731172e+00 7.96587358731172e+00  8.30479967534599e-03 8.39792719554517e-03  9.22216131464441e-03 9.39843682664801e-03  1.52872373003937e-06 1.51385497289028e-06  2.13013081065816e-06 2.09031427474077e-06
-6.98039219609805e+00 9.29938413457884e-04  -1.55075161259420e+01   6.12393891718702e+00 6.12393891718702e+00  7.96587376480502e+00 7.96587376480502e+00  8.34560935554979e-03 8.43919450319727e-03  9.26747900737584e-03 9.44462073696214e-03  1.54378497395938e-06 1.52876972836469e-06  2.15111749040178e-06 2.11090867626811e-06
-6.97549024512256e+00 9.34508117051878e-04  -1.55075161259420e+01   6.12393902007641e+00 6.12393902007641e+00  7.96587394411718e+00 7.96587394411718e+00  8.38661957422812e-03 8.48066459810192e-03  9.31301939264984e-03 9.49103159643682e-03  1.55899460466559e-06 1.54383142740997e-06  2.17231094132892e-06 2.13170598418613e-06
-6.97058829414707e+00 9.39100276101670e-04  -1.55075161259420e+01   6.12393912399846e+00 6.12393912399846e+00  7.96587412526633e+00 7.96587412526633e+00  8.42783131682909e-03 8.52233847675775e-03  9.35878356480627e-03 9.53767052032950e-03  1.57435408411581e-06 1.55904151776533e-06  2.19371320073633e-06 2.15270819771479e-06
-6.96568634317159e+00 9.43715000953034e-04  -1.55075161259420e+01   6.12393922896339e+00 6.12393922896339e+00  7.96587430827080e+00 7.96587430827080e+00  8.46924557364332e-03 8.56421714056020e-03  9.40477262356307e-03 9.58453862937842e-03  1.58986488867188e-06 1.57440146143392e-06  2.21532632599568e-06 2.17391733577371e-06
-6.96078439219610e+00 9.48352402493988e-04  -1.55075161259420e+01   6.12393933498153e+00 6.12393933498153e+00  7.96587449314908e+00 7.96587449314908e+00  8.51086333982784e-03 8.60630159582569e-03  9.45098767404268e-03 9.63163704982969e-03  1.60552850924165e-06 1.58991273482346e-06  2.23715239475152e-06 2.19533543717668e-06
-6.95588244122061e+00 9.53012592157448e-04  -1.55075161259420e+01   6.12393944206333e+00 6.12393944206333e+00  7.96587467991985e+00 7.96587467991985e+00  8.55268561542990e-03 8.64859285381571e-03  9.49742982679856e-03 9.67896691346421e-03  1.62134645142227e-06 1.60557682888808e-06  2.25919350512097e-06 2.21696456082739e-06
-6.95098049024512e+00 9.57695681923909e-04  -1.55075161259420e+01   6.12393955021932e+00 6.12393955021932e+00  7.96587486860197e+00 7.96587486860197e+00  8.59471340541107e-03 8.69109193076115e-03  9.54410019784197e-03 9.72652935762500e-03  1.63732023564496e-06 1.62139524927174e-06  2.28145177589565e-06 2.23880678591766e-06
-6.94607853926964e+00 9.62401784324139e-04  -1.55075161259420e+01   6.12393965946015e+00 6.12393965946015e+00  7.96587505921451e+00 7.96587505921451e+00  8.63694771967135e-03 8.73379984788674e-03  9.59099990866872e-03 9.77432552524448e-03  1.65345139732113e-06 1.63736951645290e-06  2.30392934674522e-06 2.26086421212730e-06
-6.94117658829415e+00 9.67131012441881e-04  -1.55075161259420e+01   6.12393976979656e+00 6.12393976979656e+00  7.96587525177670e+00 7.96587525177670e+00  8.67938957307350e-03 8.77671763143560e-03  9.63813008628616e-03 9.82235656487197e-03  1.66974148699000e-06 1.65350116589073e-06  2.32662837842333e-06 2.28313895982607e-06
-6.93627463731866e+00 9.71883479916566e-04  -1.55075161259420e+01   6.12393988123941e+00 6.12393988123941e+00  7.96587544630798e+00 7.96587544630798e+00  8.72203998546733e-03 8.81984631269385e-03  9.68549186324029e-03 9.87062363070127e-03  1.68619207046767e-06 1.66979174817268e-06  2.34955105297532e-06 2.30563317027749e-06
-6.93137268634317e+00 9.76659300946052e-04  -1.55075161259420e+01   6.12393999379966e+00 6.12393999379966e+00  7.96587564282799e+00 7.96587564282799e+00  8.76489998171432e-03 8.86318692801543e-03  9.73308637764296e-03 9.91912788259846e-03  1.70280472899763e-06 1.68624282916359e-06  2.37269957394815e-06 2.32834900584495e-06
-6.92647073536768e+00 9.81458590289360e-04  -1.55075161259420e+01   6.12394010748838e+00 6.12394010748838e+00  7.96587584135654e+00 7.96587584135654e+00  8.80797059171214e-03 8.90674051884698e-03  9.78091477319921e-03 9.96787048612967e-03  1.71958105940275e-06 1.70285599015615e-06  2.39607616660212e-06 2.35128865019945e-06
-6.92156878439220e+00 9.86281463269438e-04  -1.55075161259420e+01   6.12394022231676e+00 6.12394022231676e+00  7.96587604191366e+00 7.96587604191366e+00  8.85125285041949e-03 8.95050813175293e-03  9.82897819923483e-03 1.00168526125893e-02  1.73652267423885e-06 1.71963282802300e-06  2.41968307812512e-06 2.37445430852983e-06
-6.91666683341671e+00 9.91128035775926e-04  -1.55075161259420e+01   6.12394033829608e+00 6.12394033829608e+00  7.96587624451956e+00 7.96587624451956e+00  8.89474779788092e-03 8.99449081844056e-03  9.87727781072390e-03 1.00660754390278e-02  1.75363120194964e-06 1.73657495537016e-06  2.44352257784859e-06 2.39784820775456e-06
-6.91176488244122e+00 9.95998424267948e-04  -1.55075161259420e+01   6.12394045543775e+00 6.12394045543775e+00  7.96587644919467e+00 7.96587644919467e+00  8.93845647925181e-03 9.03868963578534e-03  9.92581476831665e-03 1.01155401482806e-02  1.77090828702331e-06 1.75368400069211e-06  2.46759695746579e-06 2.42147259673621e-06
-6.90686293146573e+00 1.00089274577690e-03  -1.55075161259420e+01   6.12394057375329e+00 6.12394057375329e+00  7.96587665595961e+00 7.96587665595961e+00  8.98237994482356e-03 9.08310564585629e-03  9.97459023836724e-03 1.01652479289958e-02  1.78835559015060e-06 1.77096160852831e-06  2.49190853125211e-06 2.44532974649748e-06
-6.90196098049025e+00 1.00581111790928e-03  -1.55075161259420e+01   6.12394069325431e+00 6.12394069325431e+00  7.96587686483522e+00 7.96587686483522e+00  9.02651925004876e-03 9.12773991594154e-03  1.00236053929620e-02 1.02151999756633e-02  1.80597478838451e-06 1.78840943962135e-06  2.51645963628794e-06 2.46942195043985e-06
-6.89705902951476e+00 1.01075365884949e-03  -1.55075161259420e+01   6.12394081395258e+00 6.12394081395258e+00  7.96587707584252e+00 7.96587707584252e+00  9.07087545556656e-03 9.17259351857393e-03  1.00728614099472e-02 1.02653974886432e-02  1.82376757530142e-06 1.80602917107650e-06  2.54125263268303e-06 2.49375152456383e-06
-6.89215707853927e+00 1.01572048736270e-03  -1.55075161259420e+01   6.12394093585994e+00 6.12394093585994e+00  7.96587728900276e+00 7.96587728900276e+00  9.11544962722817e-03 9.21766753155682e-03  1.01223594729581e-02 1.03158416741949e-02  1.84173566116395e-06 1.82382249652303e-06  2.56628990380368e-06 2.51832080769201e-06
-6.88725512756378e+00 1.02071172279767e-03  -1.55075161259419e+01   6.12394105898838e+00 6.12394105898838e+00  7.96587750433740e+00 7.96587750433740e+00  9.16024283612252e-03 9.26296303798998e-03  1.01721007714464e-02 1.03665337445059e-02  1.85988077308539e-06 1.84179112627699e-06  2.59157385650204e-06 2.54313216169377e-06
-6.88235317658829e+00 1.02572748508967e-03  -1.55075161259419e+01   6.12394118334999e+00 6.12394118334999e+00  7.96587772186810e+00 7.96587772186810e+00  9.20525615860191e-03 9.30848112629563e-03  1.02220865007099e-02 1.04174749177210e-02  1.87820465519573e-06 1.85993678750563e-06  2.61710692134739e-06 2.56818797171263e-06
-6.87745122561281e+00 1.03076789476330e-03  -1.55075161259419e+01   6.12394130895699e+00 6.12394130895699e+00  7.96587794161676e+00 7.96587794161676e+00  9.25049067630794e-03 9.35422289024457e-03  1.02723178619203e-02 1.04686664179716e-02  1.89670906880927e-06 1.87826122439342e-06  2.64289155285991e-06 2.59349064639537e-06
-6.87254927463732e+00 1.03583307293543e-03  -1.55075161259419e+01   6.12394143582172e+00 6.12394143582172e+00  7.96587816360547e+00 7.96587816360547e+00  9.29594747619749e-03 9.40018942898248e-03  1.03227960621527e-02 1.05201094754051e-02  1.91539579259402e-06 1.89676619830977e-06  2.66893022974702e-06 2.61904261812400e-06
-6.86764732366183e+00 1.04092314131810e-03  -1.55075161259419e+01   6.12394156395664e+00 6.12394156395664e+00  7.96587838785655e+00 7.96587838785655e+00  9.34162765056883e-03 9.44638184705633e-03  1.03735223144143e-02 1.05718053262147e-02  1.93426662274266e-06 1.91545348797834e-06  2.69522545514136e-06 2.64484634324943e-06
-6.86274537268634e+00 1.04603822222143e-03  -1.55075161259419e+01   6.12394169337432e+00 6.12394169337432e+00  7.96587861439255e+00 7.96587861439255e+00  9.38753229708785e-03 9.49280125444093e-03  1.04244978376739e-02 1.06237552126685e-02  1.95332337314519e-06 1.93432488964800e-06  2.72177975684185e-06 2.67090430232790e-06
-6.85784342171086e+00 1.05117843855658e-03  -1.55075161259419e+01   6.12394182408748e+00 6.12394182408748e+00  7.96587884323624e+00 7.96587884323624e+00  9.43366251881453e-03 9.53944876656562e-03  1.04757238568906e-02 1.06759603831403e-02  1.97256787556335e-06 1.95338221726557e-06  2.74859568755669e-06 2.69721900035942e-06
-6.85294147073537e+00 1.05634391383869e-03  -1.55075161259419e+01   6.12394195610895e+00 6.12394195610895e+00  7.96587907441061e+00 7.96587907441061e+00  9.48001942422931e-03 9.58632550434102e-03  1.05272016030439e-02 1.07284220921385e-02  1.99200197980671e-06 1.97262730265016e-06  2.77567582514885e-06 2.72379296702878e-06
-6.84803951975988e+00 1.06153477218985e-03  -1.55075161259419e+01   6.12394208945169e+00 6.12394208945169e+00  7.96587930793887e+00 7.96587930793887e+00  9.52660412725982e-03 9.63343259418602e-03  1.05789323131629e-02 1.07811416003375e-02  2.01162755391043e-06 1.99206199566928e-06  2.80302277288397e-06 2.75062875694880e-06
-6.84313756878439e+00 1.06675113834209e-03  -1.55075161259419e+01   6.12394222412878e+00 6.12394222412878e+00  7.96587954384448e+00 7.96587954384448e+00  9.57341774730764e-03 9.68077116805482e-03  1.06309172303563e-02 1.08341201746067e-02  2.03144648431498e-06 2.01168816441671e-06  2.83063915968092e-06 2.77772894990611e-06
-6.83823561780890e+00 1.07199313764036e-03  -1.55075161259419e+01   6.12394236015345e+00 6.12394236015345e+00  7.96587978215114e+00 7.96587978215114e+00  9.62046140927520e-03 9.72834236346417e-03  1.06831576038418e-02 1.08873590880422e-02  2.05146067604735e-06 2.03150769539205e-06  2.85852764036446e-06 2.80509615110917e-06
-6.83333366683342e+00 1.07726089604556e-03  -1.55075161259419e+01   6.12394249753909e+00 6.12394249753909e+00  7.96588002288297e+00 7.96588002288297e+00  9.66773624359295e-03 9.77614732352084e-03  1.07356546889775e-02 1.09408596199969e-02  2.07167205290470e-06 2.05152249368251e-06  2.88669089592231e-06 2.83273299144063e-06
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2.70096098049025e+00 1.48940377295553e+01  -5.37127684566054e-01   1.19596717147254e-13 1.19596717147254e-13  -1.32591095280647e-13 -1.32591095280647e-13  3.19060714013019e-11 2.89393810841341e-11  -3.54166796470551e-11 -3.21796587195729e-11  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.70586293146573e+00 1.49672268104201e+01  -5.34501153862248e-01   1.07603387163807e-13 1.07603387163807e-13  -1.19294674900268e-13 -1.19294674900268e-13  2.96283535676962e-11 2.68595815190416e-11  -3.28883478949534e-11 -2.98669906447118e-11  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
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2.71566683341671e+00 1.51146856896436e+01  -5.29286560406730e-01   8.69827153712484e-14 8.69827153712484e-14  -9.64335398055907e-14 -9.64335398055907e-14  2.55255780089173e-11 2.31161546426867e-11  -2.83341495212538e-11 -2.57044237679324e-11  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.72056878439220e+00 1.51889590313171e+01  -5.26698372349613e-01   7.81504232417752e-14 7.81504232417752e-14  -8.66416068396716e-14 -8.66416068396716e-14  2.36814643252726e-11 2.14348776866358e-11  -2.62871302890452e-11 -2.38348991900946e-11  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.72547073536768e+00 1.52635973510918e+01  -5.24122840526896e-01   7.01819088278867e-14 7.01819088278867e-14  -7.78073018893157e-14 -7.78073018893157e-14  2.19637752985739e-11 1.98696749805678e-11  -2.43804459235606e-11 -2.20944452263041e-11  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.73037268634317e+00 1.53386024424647e+01  -5.21559902831464e-01   6.29960295844600e-14 6.29960295844600e-14  -6.98406662296232e-14 -6.98406662296232e-14  2.03643436129932e-11 1.84129916596201e-11  -2.26050304891468e-11 -2.04746611340705e-11  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.73527463731866e+00 1.54139761077460e+01  -5.19009497900124e-01   5.65190249595188e-14 5.65190249595188e-14  -6.26599251823333e-14 -6.26599251823333e-14  1.88755062368994e-11 1.70577429595971e-11  -2.09523778180834e-11 -1.89676689054684e-11  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.74017658829415e+00 1.54897201581024e+01  -5.16471564223883e-01   5.06836960205543e-14 5.06836960205543e-14  -5.61905786088194e-14 -5.61905786088194e-14  1.74900546958602e-11 1.57972678357408e-11  -1.94144863123998e-11 -1.75660616929385e-11  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.74507853926964e+00 1.55658364136007e+01  -5.13946041045914e-01   4.54290178443677e-14 4.54290178443677e-14  -5.03649711865510e-14 -5.03649711865510e-14  1.62012301824935e-11 1.46253239935332e-11  -1.79838535157861e-11 -1.62628982838145e-11  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.74998049024512e+00 1.56423267032515e+01  -5.11432867449689e-01   4.06994443382275e-14 4.06994443382275e-14  -4.51215216992140e-14 -4.51215216992140e-14  1.50026785243465e-11 1.35360459321921e-11  -1.66534261268270e-11 -1.50516564462428e-11  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.75488244122061e+00 1.57191928650530e+01  -5.08931983278650e-01   3.64445832046977e-14 3.64445832046977e-14  -4.04043626868115e-14 -4.04043626868115e-14  1.38884460132686e-11 1.25239406898538e-11  -1.54165953695863e-11 -1.39262281980608e-11  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.75978439219610e+00 1.57964367460354e+01  -5.06443328203135e-01   3.26186081991981e-14 3.26186081991981e-14  -3.61626888450545e-14 -3.61626888450545e-14  1.28529387057354e-11 1.15838499650145e-11  -1.42671518159513e-11 -1.28808776872326e-11  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.76468634317159e+00 1.58740602023052e+01  -5.03966842660821e-01   2.91799869103926e-14 2.91799869103926e-14  -3.23504552293420e-14 -3.23504552293420e-14  1.18909188562249e-11 1.07109464641378e-11  -1.31992814266652e-11 -1.19102371305906e-11  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.76958829414707e+00 1.59520650990898e+01  -5.01502466903363e-01   2.60909849855362e-14 2.60909849855362e-14  -2.89258276141692e-14 -2.89258276141692e-14  1.09974682052883e-11 9.90069977185759e-12  -1.22075248001599e-11 -1.10092688627470e-11  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.77449024512256e+00 1.60304533107821e+01  -4.99050141956699e-01   2.33174384292642e-14 2.33174384292642e-14  -2.58509300523602e-14 -2.58509300523602e-14  1.01679849174345e-11 9.14887320447461e-12  -1.12867737735962e-11 -1.01732618373572e-11  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.77939219609805e+00 1.61092267209859e+01  -4.96609808648306e-01   2.08283360955598e-14 2.08283360955598e-14  -2.30913820047184e-14 -2.30913820047184e-14  9.39815044378999e-12 8.45149303918764e-12  -1.04322346395720e-11 -9.39779741113962e-12  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.78429414707354e+00 1.61883872225611e+01  -4.94181408586469e-01   1.85956394715569e-14 1.85956394715569e-14  -2.06160985434866e-14 -2.06160985434866e-14  8.68392950749714e-12 7.80484818523548e-12  -9.63942812998450e-12 -8.67874897826281e-12  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.78919609804902e+00 1.62679367176689e+01  -4.91764883169040e-01   1.65944045251451e-14 1.65944045251451e-14  -1.83974254397010e-14 -1.83974254397010e-14  8.02172383216853e-12 7.20562824107987e-12  -8.90436005949103e-12 -8.01243548579707e-12  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.79409804902451e+00 1.63478771178178e+01  -4.89360174580803e-01   1.47925526086042e-14 1.47925526086042e-14  -1.63997986516272e-14 -1.63997986516272e-14  7.40455953045375e-12 6.64747900011639e-12  -8.21928920942002e-12 -7.39179126255152e-12  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.79900000000000e+00 1.64282103439092e+01  -4.86967224773028e-01   1.32826922412422e-14 1.32826922412422e-14  -1.47258888619760e-14 -1.47258888619760e-14  6.87346292947862e-12 6.16739452277142e-12  -7.62975607952134e-12 -6.85795257229244e-12  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>