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

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

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

 <<< Atom >>>
 AtomSpecies                 29
 max.ocupied.N               4
 total.electron              29.0000
 valence.electron            17.0000

 <ocupied.electrons
 1  2.0000 
 2  2.0000  6.0000 
 3  2.0000  6.0000  9.0000 
 4  2.0000  0.0000  0.0000  0.0000 
 ocupied.electrons>

 <<< parameters for solving 1D-differential equations >>>
 grid.xmin                   -7.800
 grid.xmax                    3.000
 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       0.70000
 scf.Mixing.History          7
 scf.Mixing.StartPulay       4
 scf.criterion               0.00000000000100

 <<< Pseudo potential >>>
 vps.type                    TM
 number.vps                  4
 <pseudo.NandL
  0    3   1   1.0000
  1    3   2   1.6000
  2    4   0   2.0000
  3    4   3   1.2000
 pseudo.NandL>
 Blochl.projector.num        2
 local.type                  Polynomial
 local.part.vps              4
 local.cutoff                1.30000
 local.origin.ratio          3.40000
 log.deri.RadF.calc          ON
 log.deri.MinE               -2.00000
 log.deri.MaxE               2.50000
 log.deri.num                50
 <log.deri.R
  0   3.0000  3.0000
  1   2.4000  2.4000
  2   2.4000  2.4000
  3   2.4000  2.4000
 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                   0.05000
 pcc.ratio.origin            4.00000

 <<< Pseudo atomic orbitals >>>
 maxL.pao                    3
 num.pao                     5
 radial.cutoff.pao           4.50000
 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      -324.7086985110649     -324.7086985110649
 n=  2  l=  0       -39.1706452725337      -39.1706452725337
 n=  2  l=  1       -33.6304892665079      -34.3817909485674
 n=  3  l=  0        -4.3847850030750       -4.3847850030750
 n=  3  l=  1        -2.8144860467518       -2.9112031209525
 n=  3  l=  2        -0.3476794201531       -0.3584411690607
 n=  4  l=  0        -0.2231710946018       -0.2231710946018


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

 Eeigen =     -961.3660505623519
 Ekin   =     1680.4469658815281
 EHart  =      714.0189836088175
 Exc    =      -64.8195472740094
 Eec    =    -3984.0172395909522
 Etot   = Ekin + EHart + Exc + Eec
 Etot   =    -1654.3708373746160


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

j.dependent.pseudo.potentials   on

<VPS> L=0, dif of log deris for all electrons = 4491.7775825047 4491.7775825047
<VPS> L=0, dif of log deris for semi local    = 4281.1269240132 4281.1269240132
<VPS> L=1, dif of log deris for all electrons = 1213.7076532729 1032.1760763621
<VPS> L=1, dif of log deris for semi local    = 144473.2092710764  158.1533468978
<VPS> L=2, dif of log deris for all electrons =  737.5343055206  719.0942709553
<VPS> L=2, dif of log deris for semi local    =    3.6960294373    3.9235319223
<VPS> L=3, dif of log deris for all electrons =    0.0003037137    0.0003300874
<VPS> L=3, dif of log deris for semi local    =    0.0003039808    0.0003046205

<project.energies
 8
 0    3.36501724255026e+00   3.36501724255026e+00
 0    4.32224812134298e+00   4.32224812134298e+00
 1    2.24875975851989e-01   2.24946260498799e-01
 1    6.70776323236713e-01   6.96207857200592e-01
 2    7.55088728839564e-01   7.55485788248938e-01
 2    1.08467467544687e+00   1.08632011393953e+00
 3    8.43718271498589e-01   8.44373140411378e-01
 3    1.05290452936993e+00   1.05344601069756e+00
project.energies>

<Pseudo.Potentials
-7.80000000000000e+00 4.09734978979787e-04  -4.44556891127389e+01   3.55579407318185e+00 3.55579407318185e+00  7.28856527671969e+00 7.28856527671969e+00  2.99516154311108e-02 2.92520331171365e-02  1.82165629740450e-02 1.58422847193844e-02  8.51339702727454e-06 8.42298713730969e-06  1.35402806243207e-05 1.33996455753801e-05  2.88992075989166e-09 2.88998007083045e-09  7.06072862269550e-09 7.06294701733297e-09
-7.79459779889945e+00 4.11954439322034e-04  -4.44556891127389e+01   3.55579410677347e+00 3.55579410677347e+00  7.28856543261747e+00 7.28856543261747e+00  3.01138585262354e-02 2.94104867274179e-02  1.83152410004546e-02 1.59281017432826e-02  8.60587833743787e-06 8.51448633161330e-06  1.36873707848102e-05 1.35452080571689e-05  2.93713821404359e-09 2.93719849408250e-09  7.17609182724835e-09 7.17834646780744e-09
-7.78919559779890e+00 4.14185922079899e-04  -4.44556891127389e+01   3.55579414072998e+00 3.55579414072998e+00  7.28856559020872e+00 7.28856559020872e+00  3.02769804727995e-02 2.95697986626111e-02  1.84144535837894e-02 1.60143836589311e-02  8.69936427997149e-06 8.60697948969127e-06  1.38360588343062e-05 1.36923518336305e-05  2.98512713928859e-09 2.98518840426249e-09  7.29333992324922e-09 7.29563140194910e-09
-7.78379339669835e+00 4.16429492376636e-04  -4.44556891127389e+01   3.55579417505536e+00 3.55579417505536e+00  7.28856574951182e+00 7.28856574951182e+00  3.04409860315444e-02 2.97299735722760e-02  1.85142036202339e-02 1.61011329851597e-02  8.79386576838910e-06 8.70047740916698e-06  1.39863621317695e-05 1.38410940834797e-05  3.03390014040424e-09 3.03396240640676e-09  7.41250370746514e-09 7.41483262620124e-09
-7.77839119559780e+00 4.18685215688258e-04  -4.44556891127389e+01   3.55579420975360e+00 3.55579420975360e+00  7.28856591054538e+00 7.28856591054538e+00  3.06058799890021e-02 2.98910161311609e-02  1.86144940216705e-02 1.61883522544521e-02  8.88939383476236e-06 8.79499100496280e-06  1.41382982247562e-05 1.39914521720682e-05  3.08347002829037e-09 3.08353331167810e-09  7.53361448027991e-09 7.53598145078219e-09
-7.77298899449725e+00 4.20953157845452e-04  -4.44556891127389e+01   3.55579424482875e+00 3.55579424482875e+00  7.28856607332820e+00 7.28856607332820e+00  3.07716671576351e-02 3.00529310393393e-02  1.87153277157641e-02 1.62760440130197e-02  8.98595963100877e-06 8.89053131057454e-06  1.42918848514654e-05 1.41434436534132e-05  3.13384982289880e-09 3.13391414029562e-09  7.65670405285271e-09 7.65910969684612e-09
-7.76758679339670e+00 4.23233385035495e-04  -4.44556891127389e+01   3.55579428028492e+00 3.55579428028492e+00  7.28856623787925e+00 7.28856623787925e+00  3.09383523759770e-02 3.02157230223471e-02  1.88167076460487e-02 1.63642108208769e-02  9.08357443019381e-06 8.98710947935954e-06  1.44471399428125e-05 1.42970862722463e-05  3.18505275726218e-09 3.18511812556362e-09  7.78180475696171e-09 7.78424970632981e-09
-7.76218459229615e+00 4.25525963804191e-04  -4.44556891127389e+01   3.55579431612623e+00 3.55579431612623e+00  7.28856640421775e+00 7.28856640421775e+00  3.11059405087734e-02 3.03793968313202e-02  1.89186367720120e-02 1.64528552519145e-02  9.18224962784686e-06 9.08473678583873e-06  1.46040816245211e-05 1.44523979660864e-05  3.23709228018255e-09 3.23715871656021e-09  7.90894945157325e-09 7.91143434852382e-09
-7.75678239119560e+00 4.27830961057809e-04  -4.44556891127389e+01   3.55579435235687e+00 3.55579435235687e+00  7.28856657236312e+00 7.28856657236312e+00  3.12744364471244e-02 3.05439572431337e-02  1.90211180691838e-02 1.65419798939767e-02  9.28199674329188e-06 9.18342462701318e-06  1.47627282192422e-05 1.46093968673349e-05  3.28998206073420e-09 3.29004958264029e-09  8.03817153384395e-09 8.04069703107813e-09
-7.75138019009505e+00 4.30148444065038e-04  -4.44556891127389e+01   3.55579438898106e+00 3.55579438898106e+00  7.28856674233496e+00 7.28856674233496e+00  3.14438451086270e-02 3.07094090605411e-02  1.91241545292221e-02 1.66315873489361e-02  9.38282742099213e-06 9.28318452369452e-06  1.49230982486919e-05 1.47681013053927e-05  3.34373599069589e-09 3.34380461586778e-09  8.16950494506334e-09 8.17207170594657e-09
-7.74597798899450e+00 4.32478480458950e-04  -4.44556891127389e+01   3.55579442600309e+00 3.55579442600309e+00  7.28856691415313e+00 7.28856691415313e+00  3.16141714375191e-02 3.08757571123146e-02  1.92277491600002e-02 1.67216802327694e-02  9.48475343190973e-06 9.38402812185005e-06  1.50852104358158e-05 1.49285298088009e-05  3.39836818955068e-09 3.39843793601559e-09  8.30298418287032e-09 8.30559288160715e-09
-7.74057578789395e+00 4.34821138238971e-04  -4.44556891127389e+01   3.55579446342727e+00 3.55579446342727e+00  7.28856708783766e+00 7.28856708783766e+00  3.17854204048232e-02 3.10430062533859e-02  1.93319049856956e-02 1.68122611756348e-02  9.58778667487983e-06 9.48596719396238e-06  1.52490837069743e-05 1.50907011074049e-05  3.45389300664580e-09 3.45396389272553e-09  8.43864430653043e-09 8.44129562834101e-09
-7.73517358679340e+00 4.37176485772869e-04  -4.44556891127389e+01   3.55579450125797e+00 3.55579450125797e+00  7.28856726340884e+00 7.28856726340884e+00  3.19575970084922e-02 3.12111613649884e-02  1.94366250468782e-02 1.69033328219488e-02  9.69193917800004e-06 9.58901364040407e-06  1.54147371941547e-05 1.52546341345417e-05  3.51032502671357e-09 3.51039707102931e-09  8.57652095042536e-09 8.57921559172614e-09
-7.72977138569285e+00 4.39544591798749e-04  -4.44556891127389e+01   3.55579453949961e+00 3.55579453949961e+00  7.28856744088714e+00 7.28856744088714e+00  3.21307062735552e-02 3.13802273547994e-02  1.95419124005990e-02 1.69948978304633e-02  9.79722310003448e-06 9.69317949082675e-06  1.55821902372037e-05 1.54203480292510e-05  3.56767907174230e-09 3.56775229321952e-09  8.71665032862435e-09 8.71938899721020e-09
-7.72436918459230e+00 4.41925525427055e-04  -4.44556891127389e+01   3.55579457815664e+00 3.55579457815664e+00  7.28856762029329e+00 7.28856762029329e+00  3.23047532522639e-02 3.15502091570833e-02  1.96477701204799e-02 1.70869588743435e-02  9.90365073183345e-06 9.79847690556577e-06  1.57514623860873e-05 1.55878621385105e-05  3.62597020704286e-09 3.62604462491631e-09  8.85906924970688e-09 8.86185266493791e-09
-7.71896698349175e+00 4.44319356142592e-04  -4.44556891127389e+01   3.55579461723358e+00 3.55579461723358e+00  7.28856780164821e+00 7.28856780164821e+00  3.24797430242402e-02 3.17211117328359e-02  1.97542012968034e-02 1.71795186412465e-02  1.00112344977684e-05 9.90491817705993e-06  1.59225734031732e-05 1.57571960194953e-05  3.68521374281376e-09 3.68528937663246e-09  9.00381512058673e-09 9.00664401357630e-09
-7.71356478239120e+00 4.46726153806552e-04  -4.44556891127389e+01   3.55579465673499e+00 3.55579465673499e+00  7.28856798497307e+00 7.28856798497307e+00  3.26556806966247e-02 3.18929400699291e-02  1.98612090366031e-02 1.72725798333996e-02  1.01199869571825e-05 1.00125157312866e-05  1.60955432655395e-05 1.59283694418623e-05  3.74542524077893e-09 3.74550211041138e-09  9.15092596273046e-09 9.15380107653827e-09
-7.70816258129065e+00 4.49145988658550e-04  -4.44556891127389e+01   3.55579469666549e+00 3.55579469666549e+00  7.28856817028927e+00 7.28856817028927e+00  3.28325714042259e-02 3.20656991832568e-02  1.99687964637547e-02 1.73661451676795e-02  1.02299208058568e-05 1.01212821292123e-05  1.62703921673069e-05 1.61014023900581e-05  3.80662051542894e-09 3.80669864106829e-09  9.30044041519029e-09 9.30336250501642e-09
-7.70276038019010e+00 4.51578931318679e-04  -4.44556891127389e+01   3.55579473702971e+00 3.55579473702971e+00  7.28856835761842e+00 7.28856835761842e+00  3.30104203096697e-02 3.22393941148810e-02  2.00769667190676e-02 1.74602173756924e-02  1.03410488774928e-05 1.02312300682599e-05  1.64471405219984e-05 1.62763150656548e-05  3.86881564125699e-09 3.86889504342638e-09  9.45239775228397e-09 9.45536758566849e-09
-7.69735817908954e+00 4.54025052789566e-04  -4.44556891127389e+01   3.55579477783239e+00 3.55579477783239e+00  7.28856854698240e+00 7.28856854698240e+00  3.31892326035504e-02 3.24140299341790e-02  2.01857229603762e-02 1.75547992038529e-02  1.04533841452107e-05 1.03423723837902e-05  1.66258089649218e-05 1.64531278897073e-05  3.93202695365752e-09 3.93210765321543e-09  9.60683788579079e-09 9.60985624281407e-09
-7.69195597798899e+00 4.56484424458448e-04  -4.44556891127389e+01   3.55579481907828e+00 3.55579481907828e+00  7.28856873840330e+00 7.28856873840330e+00  3.33690135045825e-02 3.25896117379919e-02  2.02950683626330e-02 1.76498934134653e-02  1.05669397230638e-05 1.04547220506008e-05  1.68064183555814e-05 1.66318615051398e-05  3.99627105678793e-09 3.99635307493373e-09  9.76380138416024e-09 9.76686905764931e-09
-7.68655377688844e+00 4.58957118099253e-04  -4.44556891127389e+01   3.55579486077220e+00 3.55579486077220e+00  7.28856893190345e+00 7.28856893190345e+00  3.35497682597525e-02 3.27661446507729e-02  2.04050061180014e-02 1.77455027808046e-02  1.06817288675699e-05 1.05682921844414e-05  1.69889897801124e-05 1.68125367791557e-05  4.06156482410556e-09 4.06164818238499e-09  9.92332947382435e-09 9.92644726955957e-09
-7.68115157578789e+00 4.61443205874696e-04  -4.44556891127389e+01   3.55579490291901e+00 3.55579490291901e+00  7.28856912750545e+00 7.28856912750545e+00  3.37315021444726e-02 3.29436338247371e-02  2.05155394359485e-02 1.78416300971966e-02  1.07977649792589e-05 1.06830960435446e-05  1.71735445537455e-05 1.69951748056760e-05  4.12792540688374e-09 4.12801012719465e-09  1.00854640600054e-08 1.00886327969338e-08
-7.67574937468734e+00 4.63942760338385e-04  -4.44556891127389e+01   3.55579494552362e+00 3.55579494552362e+00  7.28856932523210e+00 7.28856932523210e+00  3.39142204627344e-02 3.31220844400120e-02  2.06266715433399e-02 1.79382781691009e-02  1.09150616042372e-05 1.07991470301737e-05  1.73601042232942e-05 1.71797969078010e-05  4.19537023436695e-09 4.19545633896499e-09  1.02502477270950e-08 1.02534682375437e-08
-7.67034717358679e+00 4.66455854436934e-04  -4.44556891127389e+01   3.55579498859101e+00 3.55579498859101e+00  7.28856952510649e+00 7.28856952510649e+00  3.40979285472641e-02 3.33015017047889e-02  2.07384056845339e-02 1.80354498181926e-02  1.10336324357698e-05 1.09164586921882e-05  1.75486905696735e-05 1.73664246403030e-05  4.26391702297104e-09 4.26400453447558e-09  1.04177237611339e-08 1.04209968910304e-08
-7.66494497248624e+00 4.68982561512101e-04  -4.44556891127389e+01   3.55579503212622e+00 3.55579503212622e+00  7.28856972715194e+00 7.28856972715194e+00  3.42826317596780e-02 3.34818908554747e-02  2.08507451214761e-02 1.81331478814451e-02  1.11534913158784e-05 1.10350447246247e-05  1.77393256104422e-05 1.75550797921420e-05  4.33358377603589e-09 4.33367271743589e-09  1.05879361492074e-08 1.05912627583001e-08
-7.65954277138569e+00 4.71522955302920e-04  -4.44556891127389e+01   3.55579507613430e+00 3.55579507613430e+00  7.28856993139203e+00 7.28856993139203e+00  3.44683354906390e-02 3.36632571568447e-02  2.09636931337952e-02 1.82313752112129e-02  1.12746522369577e-05 1.11549189712964e-05  1.79320316023751e-05 1.77457843890112e-05  4.40438879374043e-09 4.40447918840056e-09  1.07609296036713e-08 1.07643105657575e-08
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2.86934717358679e+00 1.76255080459813e+01  -9.64511204621445e-01   9.63784079827009e-10 9.63784079827009e-10  -9.80882865401309e-10 -9.80882865401309e-10  3.46125942762861e-22 1.76965802590438e-22  -6.39726550836312e-22 -3.37385805697097e-22  8.62489830480648e-12 7.03664864772718e-12  -1.54250010325452e-11 -1.27692607321689e-11  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.87474937468734e+00 1.77209822381467e+01  -9.59314770105984e-01   8.95095072368185e-10 8.95095072368185e-10  -9.10975384956221e-10 -9.10975384956221e-10  2.75083571048731e-22 1.40137021608035e-22  -5.08422757224015e-22 -2.67171695539789e-22  7.88147873674053e-12 6.42256335898118e-12  -1.40954604000988e-11 -1.16549020799452e-11  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
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2.90176038019010e+00 1.82061669517335e+01  -9.33749538960965e-01   6.15298854485961e-10 6.15298854485961e-10  -6.26215707184874e-10 -6.26215707184874e-10  8.57194090957344e-23 4.28757491238117e-23  -1.58430943053265e-22 -8.17428561895155e-23  4.99084727850228e-12 4.04274196305355e-12  -8.92580727378846e-12 -7.33631455536152e-12  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.90716258129065e+00 1.83047864682666e+01  -9.28718837086761e-01   5.70266842583744e-10 5.70266842583744e-10  -5.80384819592828e-10 -5.80384819592828e-10  6.76519192723462e-23 3.37129899259715e-23  -1.25037724400805e-22 -6.42740196369583e-23  4.54928361853176e-12 3.68057940453416e-12  -8.13610539894705e-12 -6.67910768974712e-12  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
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2.91796698349175e+00 1.85036310073216e+01  -9.18738597588371e-01   4.89332728054460e-10 4.89332728054460e-10  -4.98014896552145e-10 -4.98014896552145e-10  4.19888906680965e-23 2.07680597749574e-23  -7.76060429106613e-23 -3.95944504811324e-23  3.77512937776268e-12 3.04676433042179e-12  -6.75158972720086e-12 -5.52893871985277e-12  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.92336918459230e+00 1.86038618328923e+01  -9.13788768702357e-01   4.53040241299298e-10 4.53040241299298e-10  -4.61078553727552e-10 -4.61078553727552e-10  3.30204030896742e-23 1.62706007297331e-23  -6.10300334675127e-23 -3.10200207577277e-23  3.43677784069086e-12 2.77026184624933e-12  -6.14647311122937e-12 -5.02717567386916e-12  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.92877138569285e+00 1.87046355907334e+01  -9.08865608181666e-01   4.19290157406647e-10 4.19290157406647e-10  -4.26729711453112e-10 -4.26729711453112e-10  2.59365327375797e-23 1.27316490595529e-23  -4.79372651885345e-23 -2.42729888329947e-23  3.12743364565313e-12 2.51777380469734e-12  -5.59323352072854e-12 -4.56899073472597e-12  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.93417358679340e+00 1.88059552218110e+01  -9.03968971363511e-01   3.87915267511969e-10 3.87915267511969e-10  -3.94798195397938e-10 -3.94798195397938e-10  2.03476172143660e-23 9.95014222784886e-24  -3.76075457733112e-23 -1.89700286147766e-23  2.84473320845367e-12 2.28731641412298e-12  -5.08764394141951e-12 -4.15078402734834e-12  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.93957578789395e+00 1.89078236830217e+01  -8.99098716330961e-01   3.58759006145962e-10 3.58759006145962e-10  -3.65124663348373e-10 -3.65124663348373e-10  1.59437931697166e-23 7.76680003996935e-24  -2.94681711116735e-23 -1.48074720418006e-23  2.58650094154411e-12 2.07706587832857e-12  -4.62581356667340e-12 -3.76924600796891e-12  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.94497798899450e+00 1.90102439472792e+01  -8.94254699965802e-01   3.31673986425293e-10 3.31673986425293e-10  -3.37559114424536e-10 -3.37559114424536e-10  1.24777542397385e-23 6.05498421301468e-24  -2.30620577593816e-23 -1.15438828700440e-23  2.35072421992234e-12 1.88533708627025e-12  -4.20414302732128e-12 -3.42131879405458e-12  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.95038019009505e+00 1.91132190036009e+01  -8.89436781886000e-01   3.06522304147537e-10 3.06522304147537e-10  -3.11961198574130e-10 -3.11961198574130e-10  9.75332171194491e-24 4.71462250136237e-24  -1.80266187493566e-23 -8.98847303088014e-24  2.13555220345932e-12 1.71058227782635e-12  -3.81932228616552e-12 -3.10419374371625e-12  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.95578239119560e+00 1.92167518571952e+01  -8.84644820501686e-01   2.83174229213798e-10 2.83174229213798e-10  -2.88198884790470e-10 -2.88198884790470e-10  7.61430026092064e-24 3.66634587719349e-24  -1.40731662675665e-23 -6.98992516994656e-24  1.93927420167272e-12 1.55137266951581e-12  -3.46829194614093e-12 -2.81527811329971e-12  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.96118459229615e+00 1.93208455295491e+01  -8.79878676948862e-01   2.61508467839497e-10 2.61508467839497e-10  -2.66148727978734e-10 -2.66148727978734e-10  5.93709264183992e-24 2.84759288299001e-24  -1.09732618040195e-23 -5.42896559908653e-24  1.76031851982723e-12 1.40639718925534e-12  -3.14824118723770e-12 -2.55219276189240e-12  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.96658679339670e+00 1.94255030585164e+01  -8.75138211149943e-01   2.41410995410103e-10 2.41410995410103e-10  -2.45694681114455e-10 -2.45694681114455e-10  4.62353207176715e-24 2.20886788776151e-24  -8.54546863437102e-24 -4.21123066050898e-24  1.59723379767469e-12 1.27444666493367e-12  -2.85657439314679e-12 -2.31274345946851e-12  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.97198899449725e+00 1.95307274984066e+01  -8.70423285742291e-01   2.22775281694342e-10 2.22775281694342e-10  -2.26728324455488e-10 -2.26728324455488e-10  3.59613343269506e-24 1.71125575865549e-24  -6.64657487909907e-24 -3.26252844798396e-24  1.44868789413470e-12 1.15441263464901e-12  -2.59090915708981e-12 -2.09491872828632e-12  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.97739119559780e+00 1.96365219200737e+01  -8.65733762144714e-01   2.05501250147796e-10 2.05501250147796e-10  -2.09147806390132e-10 -2.09147806390132e-10  2.79350612785958e-24 1.32404583426499e-24  -5.16311533161567e-24 -2.52430890858951e-24  1.31345181194975e-12 1.04527375901334e-12  -2.34904753298941e-12 -1.89686518622036e-12  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.98279339669835e+00 1.97428894110059e+01  -8.61069504479448e-01   1.89495530802038e-10 1.89495530802038e-10  -1.92858100815947e-10 -1.92858100815947e-10  2.16732048362935e-24 1.02315662425267e-24  -4.00576462229205e-24 -1.95066053072323e-24  1.19039932808878e-12 9.46095276431693e-13  -2.12897537491115e-12 -1.71688655864897e-12  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.98819559779890e+00 1.98498330754160e+01  -8.56430375645959e-01   1.74674128604392e-10 1.74674128604392e-10  -1.77773722839144e-10 -1.77773722839144e-10  1.67944788711127e-24 7.89663523475943e-25  -3.10405148579318e-24 -1.50550342775281e-24  1.07852006061938e-12 8.56038855409302e-13  -1.92888570758481e-12 -1.55346155837997e-12  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.99359779889945e+00 1.99573560343315e+01  -8.51816241235054e-01   1.60882769332187e-10 1.60882769332187e-10  -1.63737661215741e-10 -1.63737661215741e-10  1.29821828855617e-24 6.07944307658629e-25  -2.39944168179597e-24 -1.15905371212580e-24  9.76290159693872e-13 7.73857929529019e-13  -1.74605323449800e-12 -1.40432806509557e-12  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.99900000000000e+00 2.00654614256862e+01  -8.47226965509622e-01   1.48976200436769e-10 1.48976200436769e-10  -1.51619831704680e-10 -1.51619831704680e-10  1.01618550221073e-24 4.73982248911400e-25  -1.87817286746879e-24 -9.03653504385126e-25  8.90053508204305e-13 7.04606610539314e-13  -1.59182376556184e-12 -1.27865786693886e-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>