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

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

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

 <<< Atom >>>
 AtomSpecies                 48
 max.ocupied.N               5
 total.electron              48.0000
 valence.electron            18.0000

 <ocupied.electrons
 1  2.0000 
 2  2.0000  6.0000 
 3  2.0000  6.0000  10.0000 
 4  2.0000  6.0000  10.0000  0.0000 
 5  2.0000  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                    11000
 grid.num.output             2000

 <<< SCF >>>
 scf.maxIter                 45
 scf.Mixing.Type             Simple
 scf.Init.Mixing.Weight      0.10000
 scf.Min.Mixing.Weight       0.00100
 scf.Max.Mixing.Weight       0.40000
 scf.Mixing.History          7
 scf.Mixing.StartPulay       4
 scf.criterion               0.00000000000010

 <<< Pseudo potential >>>
 vps.type                    TM
 number.vps                  4
 <pseudo.NandL
  0    4   1   1.3000
  1    4   2   1.3000
  2    4   3   1.3000
  3    5   0   2.0000
 pseudo.NandL>
 Blochl.projector.num        2
 local.type                  Polynomial
 local.part.vps              4
 local.cutoff                1.30000
 local.origin.ratio          3.20000
 log.deri.RadF.calc          ON
 log.deri.MinE               -3.50000
 log.deri.MaxE               2.50000
 log.deri.num                50
 <log.deri.R
  0   3.4000  3.4000
  1   2.6000  2.6000
  2   2.6000  2.6000
  3   2.6000  2.6000
 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                    3
 num.pao                     5
 radial.cutoff.pao           5.00000
 height.of.wall              20000.00000
 rising.edge                 0.20000
 search.LowerE               -3.00000
 search.UpperE               30.00000
 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      -971.5198577473359     -971.5198577473359
 n=  2  l=  0      -144.2236646646529     -144.2236646646529
 n=  2  l=  1      -127.3689989934453     -134.4234701820633
 n=  3  l=  0       -26.8327991254765      -26.8327991254765
 n=  3  l=  1       -21.6767843970816      -22.9387310728099
 n=  3  l=  2       -14.2929565426058      -14.5485379934159
 n=  4  l=  0        -3.8648109687370       -3.8648109687370
 n=  4  l=  1        -2.3960940745424       -2.6132147517591
 n=  4  l=  2        -0.4230932678019       -0.4487695431180
 n=  5  l=  0        -0.2187654678457       -0.2187654678457


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

 Eeigen =    -3376.1384630979087
 Ekin   =     5872.5784031736794
 EHart  =     2274.6754655633258
 Exc    =     -150.0712698059769
 Eec    =   -13599.0652833516979
 Etot   = Ekin + EHart + Exc + Eec
 Etot   =    -5601.8826844206696


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

j.dependent.pseudo.potentials   on

<VPS> L=0, dif of log deris for all electrons =  576.3552451793  576.3552451793
<VPS> L=0, dif of log deris for semi local    =  191.8509701160  191.8509701160
<VPS> L=1, dif of log deris for all electrons = 5836.0538247194 112446.7138487893
<VPS> L=1, dif of log deris for semi local    =  355.3438039481 52325.6199388853
<VPS> L=2, dif of log deris for all electrons =   35.0956602820 2944.8331426221
<VPS> L=2, dif of log deris for semi local    =   15.6157572061 8458.0082171378
<VPS> L=3, dif of log deris for all electrons =    4.5947698359    3.3010446579
<VPS> L=3, dif of log deris for semi local    =    0.9463859909    1.1773323118

<project.energies
 8
 0    3.26292394861844e+00   3.26292394861844e+00
 0    3.21572081419600e+00   3.21572081419600e+00
 1    2.64342756168523e-01   2.50893882351408e-01
 1    7.75862646654430e-01   7.35265830353562e-01
 2    6.67766869481149e-01   6.50586913087282e-01
 2    1.87757500563041e+00   1.82905816070908e+00
 3    1.94629875966083e+00   1.95089219725099e+00
 3    7.93059231283324e+00   8.03211221843092e+00
project.energies>

<Pseudo.Potentials
-8.00000000000000e+00 3.35462627902512e-04  -4.42841108314122e+01   3.37671059523548e+00 3.37671059523548e+00  9.34826679727226e+00 9.34826679727226e+00  2.40211078289760e-02 2.55348282597296e-02  2.53351726598758e-02 2.63437865834553e-02  9.02289066690455e-06 9.18484344773849e-06  1.15295820386994e-05 1.16681747510317e-05  6.55832579004356e-10 6.42179632815853e-10  2.44187425747309e-10 2.19872651205685e-10
-7.99409754877439e+00 3.37448534795440e-04  -4.42841108314122e+01   3.37671060922439e+00 3.37671060922439e+00  9.34826687867504e+00 9.34826687867504e+00  2.41633105906096e-02 2.56859921087786e-02  2.54851548264035e-02 2.64997396831259e-02  9.13003623115382e-06 9.29391217953944e-06  1.16664943754500e-05 1.18067328642133e-05  6.67549102272671e-10 6.53652245600048e-10  2.48549925680593e-10 2.23800764413507e-10
-7.98819509754877e+00 3.39446198068541e-04  -4.42841108314122e+01   3.37671062337943e+00 3.37671062337943e+00  9.34826696104446e+00 9.34826696104446e+00  2.43063551806026e-02 2.58380508350849e-02  2.56360248793791e-02 2.66566160172181e-02  9.23845413450609e-06 9.40427608782074e-06  1.18050325316049e-05 1.19469363403478e-05  6.79474942995351e-10 6.65329818369351e-10  2.52990364247601e-10 2.27799055854978e-10
-7.98229264632316e+00 3.41455687318469e-04  -4.42841108314122e+01   3.37671063770255e+00 3.37671063770255e+00  9.34826704439202e+00 9.34826704439202e+00  2.44502465825260e-02 2.59910097362659e-02  2.57877880751181e-02 2.68144210513152e-02  9.34815948582879e-06 9.51595055264132e-06  1.19452158136589e-05 1.20888047180116e-05  6.91613840659085e-10 6.77216012764477e-10  2.57510133890687e-10 2.31868779331306e-10
-7.97639019509755e+00 3.43477072553882e-04  -4.42841108314122e+01   3.37671065219577e+00 3.37671065219577e+00  9.34826712872932e+00 9.34826712872932e+00  2.45949898094535e-02 2.61448741413011e-02  2.59404497010548e-02 2.69731602833580e-02  9.45916757340546e-06 9.62895113669664e-06  1.20870637573716e-05 1.22323577678016e-05  7.03969601595202e-10 6.89314555879285e-10  2.62110651944311e-10 2.36011211057533e-10
-7.97048774387194e+00 3.45510424197887e-04  -4.42841108314122e+01   3.37671066686108e+00 3.37671066686108e+00  9.34826721406811e+00 9.34826721406811e+00  2.47405899041363e-02 2.62996494107173e-02  2.60940150759265e-02 2.71328392438371e-02  9.57149386706646e-06 9.74329358748761e-06  1.22305961304899e-05 1.23776154950911e-05  7.16546100080035e-10 7.01629241338234e-10  2.66793361044867e-10 2.40227650031566e-10
-7.96458529264632e+00 3.47555813090484e-04  -4.42841108314122e+01   3.37671068170054e+00 3.37671068170054e+00  9.34826730042028e+00 9.34826730042028e+00  2.48870519391789e-02 2.64553409367759e-02  2.62484895499593e-02 2.72934634959852e-02  9.68515402034475e-06 9.85899383951504e-06  1.23758329355032e-05 1.25245981428173e-05  7.29347279680759e-10 7.14163930614202e-10  2.71559729631894e-10 2.44519418485490e-10
-7.95868284142071e+00 3.49613310491041e-04  -4.42841108314122e+01   3.37671069671622e+00 3.37671069671622e+00  9.34826738779787e+00 9.34826738779787e+00  2.50343810172153e-02 2.66119541436605e-02  2.64038785050539e-02 2.74550386359713e-02  9.80016387265732e-06 9.97606801650026e-06  1.25227944124303e-05 1.26733261943027e-05  7.42377154322166e-10 7.26922554073057e-10  2.76411252345425e-10 2.48887862243352e-10
-7.95278039019510e+00 3.51682988080777e-04  -4.42841108314122e+01   3.37671071191021e+00 3.37671071191021e+00  9.34826747621304e+00 9.34826747621304e+00  2.51825822710873e-02 2.67694944876657e-02  2.65601873549738e-02 2.76175702930954e-02  9.91653945151265e-06 1.00945324336322e-05  1.26715010416410e-05 1.28238203761100e-05  7.55639809755041e-10 7.39909112411477e-10  2.81349450572790e-10 2.53334351213566e-10
-7.94687793896949e+00 3.53764917965253e-04  -4.42841108314122e+01   3.37671072728462e+00 3.37671072728462e+00  9.34826756567812e+00 9.34826756567812e+00  2.53316608640231e-02 2.69279674573876e-02  2.67174215455335e-02 2.77810641299849e-02  1.00342969747442e-05 1.02144035998409e-05  1.28219735467098e-05 1.29761016609299e-05  7.69139404586594e-10 7.53127677665912e-10  2.86375872832458e-10 2.57860279734485e-10
-7.94097548774387e+00 3.55859172676891e-04  -4.42841108314122e+01   3.37671074284159e+00 3.37671074284159e+00  9.34826765620558e+00 9.34826765620558e+00  2.54816219898175e-02 2.70873785739148e-02  2.68755865547884e-02 2.79455258427920e-02  1.01534528527705e-05 1.03356982200984e-05  1.29742328973039e-05 1.31301912705045e-05  7.82880171877351e-10 7.66582394776261e-10  2.91492095368716e-10 2.62467067109952e-10
-7.93507303651826e+00 3.57965825177497e-04  -4.42841108314122e+01   3.37671075858331e+00 3.37671075858331e+00  9.34826774780802e+00 9.34826774780802e+00  2.56324708730122e-02 2.72477333910209e-02  2.70346878932257e-02 2.81109611613915e-02  1.02740236908822e-05 1.04584331977464e-05  1.31283003121058e-05 1.32861106785847e-05  7.96866420132392e-10 7.80277482556441e-10  2.96699722520901e-10 2.67156157941693e-10
-7.92917058529265e+00 3.60084948860805e-04  -4.42841108314122e+01   3.37671077451195e+00 3.37671077451195e+00  9.34826784049821e+00 9.34826784049821e+00  2.57842127690787e-02 2.74090374953577e-02  2.71947311039566e-02 2.82773758495818e-02  1.03960262915561e-05 1.05826256368522e-05  1.32841972617706e-05 1.34438816139228e-05  8.11102535032920e-10 7.94217235389951e-10  3.02000387368250e-10 2.71929022710069e-10
-7.92326813406703e+00 3.62216617555030e-04  -4.42841108314122e+01   3.37671079062973e+00 3.37671079062973e+00  9.34826793428906e+00 9.34826793428906e+00  2.59368529646006e-02 2.75712965066502e-02  2.73557217629094e-02 2.84447757052845e-02  1.05194776567965e-05 1.07082928445921e-05  1.34419454719177e-05 1.36035260633005e-05  8.25592980385353e-10 8.08406024159170e-10  3.07395752083437e-10 2.76787158092323e-10
-7.91736568284142e+00 3.64360905525447e-04  -4.42841108314122e+01   3.37671080693891e+00 3.37671080693891e+00  9.34826802919364e+00 9.34826802919364e+00  2.60903967774582e-02 2.77345160778923e-02  2.75176654790234e-02 2.86131665607472e-02  1.06443949905050e-05 1.08354523336636e-05  1.36015669261592e-05 1.37650662745936e-05  8.40342299993969e-10 8.22848298079045e-10  3.12887508629979e-10 2.81732087590622e-10
-7.91146323161581e+00 3.66517887476971e-04  -4.42841108314122e+01   3.37671082344176e+00 3.37671082344176e+00  9.34826812522516e+00 9.34826812522516e+00  2.62448495570141e-02 2.78987018955436e-02  2.76805678944450e-02 2.87825542827463e-02  1.07707957008777e-05 1.09641218247254e-05  1.37630838691630e-05 1.39285247598720e-05  8.55355118564783e-10 8.37548585582157e-10  3.18477379098906e-10 2.86765361835223e-10
-7.90556078039020e+00 3.68687638556765e-04  -4.42841108314122e+01   3.37671084014057e+00 3.37671084014057e+00  9.34826822239703e+00 9.34826822239703e+00  2.64002166842987e-02 2.80638596797277e-02  2.78444346847242e-02 2.89529447727920e-02  1.08986974028314e-05 1.10943192488675e-05  1.39265188097532e-05 1.40939242985372e-05  8.70636143725931e-10 8.52511496297020e-10  3.24167116461232e-10 2.91888559261970e-10
-7.89965832916458e+00 3.70870234356855e-04  -4.42841108314122e+01   3.37671085703767e+00 3.37671085703767e+00  9.34826832072276e+00 9.34826832072276e+00  2.65565035721985e-02 2.82299951844315e-02  2.80092715590117e-02 2.91243439673334e-02  1.10281179204582e-05 1.12260627501099e-05  1.40918945240471e-05 1.42612879404973e-05  8.86190166883100e-10 8.67741721885736e-10  3.29958504886571e-10 2.97103286399270e-10
-7.89375587793897e+00 3.73065750916766e-04  -4.42841108314122e+01   3.37671087413541e+00 3.37671087413541e+00  9.34826842021606e+00 9.34826842021606e+00  2.67137156656444e-02 2.83971141977054e-02  2.81750842602590e-02 2.92967578379657e-02  1.11590752895096e-05 1.13593706879309e-05  1.42592340586292e-05 1.44306390093786e-05  9.02022065394581e-10 8.83244038173752e-10  3.35853360553209e-10 3.02411178597476e-10
-7.88785342671336e+00 3.75274264726168e-04  -4.42841108314122e+01   3.37671089143618e+00 3.37671089143618e+00  9.34826852089079e+00 9.34826852089079e+00  2.68718584418013e-02 2.85652225418656e-02  2.83418785654174e-02 2.94701923916382e-02  1.12915877599096e-05 1.14942616398257e-05  1.44285607337629e-05 1.46020011057767e-05  9.18136803374894e-10 8.99023305936764e-10  3.41853531947436e-10 3.07813900298438e-10
-7.88195097548774e+00 3.77495852727544e-04  -4.42841108314122e+01   3.37671090894239e+00 3.37671090894239e+00  9.34826862276097e+00 9.34826862276097e+00  2.70309374102591e-02 2.87343260736961e-02  2.85096602856403e-02 2.96446536708638e-02  1.14256737982988e-05 1.16307544038958e-05  1.45998981466410e-05 1.47753981105455e-05  9.34539434031727e-10 9.15084473189013e-10  3.47960900733937e-10 3.13313145819260e-10
-7.87604852426213e+00 3.79730592318868e-04  -4.42841108314122e+01   3.37671092665648e+00 3.37671092665648e+00  9.34826872584081e+00 9.34826872584081e+00  2.71909581132245e-02 2.89044306846535e-02  2.86784352664849e-02 2.98201477539293e-02  1.15613520906069e-05 1.17688680014682e-05  1.47732701746738e-05 1.49508541881250e-05  9.51235100414252e-10 9.31432575916009e-10  3.54177382034497e-10 3.18910639603227e-10
-7.87014607303652e+00 3.81978561356304e-04  -4.42841108314122e+01   3.37671094458091e+00 3.37671094458091e+00  9.34826883014465e+00 9.34826883014465e+00  2.73519261257144e-02 2.90755423010718e-02  2.88482093881168e-02 2.99966807551076e-02  1.16986415446573e-05 1.19086216797462e-05  1.49487009788171e-05 1.51283937899092e-05  9.68229037919369e-10 9.48072740528633e-10  3.60504925361471e-10 3.24608137060416e-10
-7.86424362181091e+00 3.84239838156917e-04  -4.42841108314122e+01   3.37671096271819e+00 3.37671096271819e+00  9.34826893568703e+00 9.34826893568703e+00  2.75138470557497e-02 2.92476668843693e-02  2.90189885655137e-02 3.01742588248705e-02  1.18375612928022e-05 1.20500349144919e-05  1.51262150069389e-05 1.53080416576536e-05  9.85526574981160e-10 9.65010184538211e-10  3.66945514874561e-10 3.30407424798842e-10
-7.85834117058529e+00 3.86514501501398e-04  -4.42841108314122e+01   3.37671098107083e+00 3.37671098107083e+00  9.34826904248268e+00 9.34826904248268e+00  2.76767265445512e-02 2.94208104312558e-02  2.91907787486730e-02 3.03528881501030e-02  1.19781306945884e-05 1.21931274127405e-05  1.53058369972273e-05 1.54898228269237e-05  1.00313313575413e-09 9.82250219183913e-10  3.73501170380241e-10 3.36310321524438e-10
-7.85243871935968e+00 3.88802630636819e-04  -4.42841108314122e+01   3.37671099964140e+00 3.37671099964140e+00  9.34826915054643e+00 9.34826915054643e+00  2.78405702667357e-02 2.95949789739419e-02  2.93635859228178e-02 3.05325749543192e-02  1.21203693394557e-05 1.23379191155459e-05  1.54875919816374e-05 1.56737626305834e-05  1.02105424074006e-09 9.99798250046582e-10  3.80173947565186e-10 3.42318678251270e-10
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3.65143871935968e+00 3.85300601346507e+01  -4.67167711063636e-01   2.96142750735238e-16 2.96142750735238e-16  -3.02135262856747e-16 -3.02135262856747e-16  2.08976213666943e-40 6.53834420122799e-42  -2.57857248926404e-40 -8.24481286491351e-42  4.74173874720219e-21 1.77038315041565e-21  -5.44393349131795e-21 -2.04554495677314e-21  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.65734117058529e+00 3.87581544308314e+01  -4.64418398239461e-01   2.52379180591070e-16 2.52379180591070e-16  -2.57486152422424e-16 -2.57486152422424e-16  1.28940791685359e-40 3.95534474290353e-42  -1.59100978592346e-40 -4.98766637416138e-42  3.81966572458450e-21 1.41767719910809e-21  -4.38531302628279e-21 -1.63801988397335e-21  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.66324362181091e+00 3.89875990235797e+01  -4.61685265343014e-01   2.14897843148644e-16 2.14897843148644e-16  -2.19246389482660e-16 -2.19246389482660e-16  7.93484578569760e-41 2.38621757366162e-42  -9.79086446568288e-41 -3.00900648599346e-42  3.07328433804911e-21 1.13386804922316e-21  -3.52840181420603e-21 -1.31009981631885e-21  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
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3.69275587793897e+00 4.01553578749428e+01  -4.48258985895391e-01   9.49377789992917e-17 9.49377789992917e-17  -9.68589298691433e-17 -9.68589298691433e-17  6.72729867136309e-42 1.82896091315852e-43  -8.30086599460228e-42 -2.30630986937127e-43  1.01795296077085e-21 3.64338128163563e-22  -1.16870058672575e-21 -4.20965739889959e-22  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.69865832916458e+00 4.03930737793655e+01  -4.45620952213871e-01   8.04133800969452e-17 8.04133800969452e-17  -8.20406243906020e-17 -8.20406243906020e-17  4.07355786895094e-42 1.08501512263723e-43  -5.02639497169969e-42 -1.36819832322591e-43  8.13167854023244e-22 2.89251531942844e-22  -9.33589169388211e-22 -3.34208775190041e-22  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.70456078039020e+00 4.06321969393626e+01  -4.42998443477926e-01   6.80500044693825e-17 6.80500044693825e-17  -6.94270700426886e-17 -6.94270700426886e-17  2.45986577324504e-42 6.41835336963856e-44  -3.03524784960287e-42 -8.09351014946285e-44  6.48785389375378e-22 2.29350603070866e-22  -7.44863536013018e-22 -2.64997708549268e-22  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.71046323161581e+00 4.08727356857536e+01  -4.40391368437785e-01   5.75356160901446e-17 5.75356160901446e-17  -5.86999170145963e-17 -5.86999170145963e-17  1.48134451887425e-42 3.78592091941574e-44  -1.82784284675923e-42 -4.77402686721297e-44  5.16997291866681e-22 1.81624843691523e-22  -5.93559105512263e-22 -2.09854137632189e-22  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.71636568284142e+00 4.11146983986754e+01  -4.37799636145342e-01   4.86017025215466e-17 4.86017025215466e-17  -4.95852197159955e-17 -4.95852197159955e-17  8.89593688587547e-43 2.22670143916859e-44  -1.09767683650813e-42 -2.80785928363690e-44  4.11469653603562e-22 1.43647339611083e-22  -4.72403997876028e-22 -1.65973946456965e-22  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.72226813406703e+00 4.13580935078746e+01  -4.35223156431437e-01   4.10176245479781e-17 4.10176245479781e-17  -4.18476720889718e-17 -4.18476720889718e-17  5.32748626839902e-43 1.30587024075831e-44  -6.57362875232613e-43 -1.64669589551248e-44  3.27075333897753e-22 1.13465802903171e-22  -3.75511806558380e-22 -1.31101413527004e-22  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.72817058529265e+00 4.16029294930012e+01  -4.32661839405675e-01   3.45852636220878e-17 3.45852636220878e-17  -3.52851467568381e-17 -3.52851467568381e-17  3.18148879222246e-43 7.63601032685269e-45  -3.92566521646402e-43 -9.62897177285250e-45  2.59665404405292e-22 8.95103289244086e-23  -2.98119197820822e-22 -1.03422632153289e-22  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.73407303651826e+00 4.18492148839037e+01  -4.30115595966549e-01   2.91347611486682e-17 2.91347611486682e-17  -2.97243481016872e-17 -2.97243481016872e-17  1.89461631322161e-43 4.45213147356216e-45  -2.33778281714510e-43 -5.61411643585106e-45  2.05889873095839e-22 7.05213073407142e-23  -2.36380086396720e-22 -8.14822171787721e-23  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.73997548774387e+00 4.20969582609267e+01  -4.27584337269235e-01   2.45204698158871e-17 2.45204698158871e-17  -2.50166816784475e-17 -2.50166816784475e-17  1.12506046197608e-43 2.58811545505703e-45  -1.38822154325332e-43 -3.26360138763592e-45  1.63044559154603e-22 5.54884021192260e-23  -1.87189834643490e-22 -6.41128010283899e-23  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.74587793896948e+00 4.23461682552095e+01  -4.25067975267078e-01   2.06177518251206e-17 2.06177518251206e-17  -2.10349876630000e-17 -2.10349876630000e-17  6.66194376722932e-44 1.50010485592361e-45  -8.22022882345967e-44 -1.89162527311989e-45  1.28951574889347e-22 4.36030954901230e-23  -1.48048035429519e-22 -5.03802018832959e-23  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.75178039019510e+00 4.25968535489871e+01  -4.22566422148826e-01   1.73199283424290e-17 1.73199283424290e-17  -1.76704285807419e-17 -1.76704285807419e-17  3.93347069543983e-44 8.66880741305195e-46  -4.85354309987027e-44 -1.09313266836288e-45  1.01857260553617e-22 3.42185341242223e-23  -1.16941332454672e-22 -3.95370289979203e-23  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.75768284142071e+00 4.28490228758921e+01  -4.20079590910029e-01   1.45358818972146e-17 1.45358818972146e-17  -1.48300431937218e-17 -1.48300431937218e-17  2.31584227151331e-44 4.99466782622555e-46  -2.85753774320302e-44 -6.29825379161055e-46  8.03528991791239e-23 2.68184480562276e-23  -9.22523939904336e-23 -3.09867708802830e-23  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.76358529264632e+00 4.31026850212599e+01  -4.17607394761143e-01   1.21877668604907e-17 1.21877668604907e-17  -1.24344106535392e-17 -1.24344106535392e-17  1.35949572192793e-44 2.86905593375097e-46  -1.67749359458708e-44 -3.61786693022986e-46  6.33070367653554e-23 2.09908678783720e-23  -7.26822105621439e-23 -2.42534275025389e-23  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.76948774387194e+00 4.33578488224340e+01  -4.15149747727427e-01   1.02092204015469e-17 1.02092204015469e-17  -1.04158252591958e-17 -1.04158252591958e-17  7.95778556199761e-45 1.64311506339407e-46  -9.81918141393355e-45 -2.07196100787498e-46  4.98131503979006e-23 1.64078734992881e-23  -5.71900133854981e-23 -1.89581115256919e-23  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.77539019509755e+00 4.36145231690739e+01  -4.12706564029317e-01   8.54365089166896e-18 8.54365089166896e-18  -8.71655022854076e-18 -8.71655022854076e-18  4.64438230867118e-45 9.38138655493225e-47  -5.73074442213110e-45 -1.18298887215214e-46  3.91450042978246e-23 1.28084830401019e-23  -4.49420192077070e-23 -1.47992777110424e-23  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.78129264632316e+00 4.38727170034656e+01  -4.10277758709438e-01   7.14290734360571e-18 7.14290734360571e-18  -7.28746021534750e-18 -7.28746021534750e-18  2.70268583535925e-45 5.34008959077871e-47  -3.33486816631675e-45 -6.73383078044234e-47  3.07222816573277e-23 9.98552620096475e-24  -3.52719726467240e-23 -1.15375560851010e-23  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.78719509754877e+00 4.41324393208320e+01  -4.07863246986609e-01   5.96601950082486e-18 5.96601950082486e-18  -6.08675590538304e-18 -6.08675590538304e-18  1.56813161318389e-45 3.03038716956442e-47  -1.93493170524713e-45 -3.82130586251791e-47  2.40813990925987e-23 7.77460122451828e-24  -2.76476386221301e-23 -8.98299254120036e-24  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.79309754877439e+00 4.43936991696472e+01  -4.05462944908632e-01   4.97642410611974e-18 4.97642410611974e-18  -5.07713415508963e-18 -5.07713415508963e-18  9.08673658974929e-46 1.71746096456574e-47  -1.12122066981260e-45 -2.16571140530508e-47  1.88455971404683e-23 6.04321264643940e-24  -2.16364635932271e-23 -6.98249831801027e-24  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.79900000000000e+00 4.46565056519514e+01  -4.03076768674834e-01   4.18441019716028e-18 4.18441019716028e-18  -4.26909227673135e-18 -4.26909227673135e-18  6.53447067898066e-46 1.21798033487608e-47  -8.06294312030376e-46 -1.53586842326177e-47  1.48971941837919e-23 4.74543241075172e-24  -1.71033388464474e-23 -5.48300702155414e-24  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  1.41456125188030e-33
density.PCC>