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

 System.CurrrentDirectory    ./
 System.Name                 Cu_PBE
 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      -318.1615784577251     -318.1615784577251
 n=  2  l=  0       -39.0375928730564      -39.0375928730564
 n=  2  l=  1       -33.4214398446201      -34.1323425993084
 n=  3  l=  0        -4.3165849533983       -4.3165849533983
 n=  3  l=  1        -2.7461780106840       -2.8381487357431
 n=  3  l=  2        -0.3647199434950       -0.3760013665700
 n=  4  l=  0        -0.2230874045600       -0.2230874045600


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

 Eeigen =     -946.2252608438384
 Ekin   =     1652.8230782131445
 EHart  =      712.2660225918524
 Exc    =      -54.7639719095376
 Eec    =    -3954.7791397131778
 Etot   = Ekin + EHart + Exc + Eec
 Etot   =    -1644.4540108177184


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

j.dependent.pseudo.potentials   on

<VPS> L=0, dif of log deris for all electrons = 10214.0161572482 10214.0161572482
<VPS> L=0, dif of log deris for semi local    = 9666.4635489438 9666.4635489438
<VPS> L=1, dif of log deris for all electrons = 2351.8698248336  832.1044030828
<VPS> L=1, dif of log deris for semi local    = 3842.0348767211 1496.8082900678
<VPS> L=2, dif of log deris for all electrons =  876.2958620746  877.4682974388
<VPS> L=2, dif of log deris for semi local    =    4.5411838274    5.0661248223
<VPS> L=3, dif of log deris for all electrons =    0.0004693979    0.0005019589
<VPS> L=3, dif of log deris for semi local    =    0.0004703063    0.0004712607

<project.energies
 8
 0    3.55564774823678e+00   3.55564774823678e+00
 0    4.53545712659934e+00   4.53545712659934e+00
 1    2.25553916014737e-01   2.25402417185217e-01
 1    6.62402958428414e-01   6.84605570659067e-01
 2    7.63248641162194e-01   7.64206521683313e-01
 2    1.10753803064038e+00   1.11301582331349e+00
 3    8.47200981591910e-01   8.47860707047128e-01
 3    1.05494117891141e+00   1.05548869617525e+00
project.energies>

<Pseudo.Potentials
-7.80000000000000e+00 4.09734978979787e-04  -4.44556891127389e+01   3.44070055908285e+00 3.44070055908285e+00  7.11906981793326e+00 7.11906981793326e+00  3.02118064260444e-02 2.95930755904283e-02  1.93012359443505e-02 1.71093317710297e-02  8.21776728327431e-06 8.11629463287318e-06  1.30939853279230e-05 1.29174155831234e-05  2.88376144294921e-09 2.88380358430461e-09  7.07792264865935e-09 7.08004929774843e-09
-7.79459779889945e+00 4.11954439322034e-04  -4.44556891127389e+01   3.44070059180890e+00 3.44070059180890e+00  7.11906997108431e+00 7.11906997108431e+00  3.03754589202331e-02 2.97533765563712e-02  1.94057894367898e-02 1.72020121516123e-02  8.30703718892072e-06 8.20446224835949e-06  1.32362275003776e-05 1.30577397205045e-05  2.93087826261173e-09 2.93092109254011e-09  7.19356678418488e-09 7.19572818020022e-09
-7.78919559779890e+00 4.14185922079899e-04  -4.44556891127389e+01   3.44070062489044e+00 3.44070062489044e+00  7.11907012589898e+00 7.11907012589898e+00  3.05399979001817e-02 2.99145458538576e-02  1.95109093123048e-02 1.72951946013732e-02  8.39727684185419e-06 8.29358763709133e-06  1.33800149006214e-05 1.31995882509410e-05  2.97876490914696e-09 2.97880843889976e-09  7.31110040129682e-09 7.31329711196608e-09
-7.78379339669835e+00 4.16429492376636e-04  -4.44556891127389e+01   3.44070065833134e+00 3.44070065833134e+00  7.11907028239534e+00 7.11907028239534e+00  3.07054281679830e-02 3.00765881866490e-02  1.96165986394735e-02 1.73888818405236e-02  8.48849677663991e-06 8.38368120356264e-06  1.35253643156098e-05 1.33429777350794e-05  3.02743396046859e-09 3.02747820148113e-09  7.43055437176134e-09 7.43278697408831e-09
-7.77839119559780e+00 4.18685215688258e-04  -4.44556891127389e+01   3.44070069213549e+00 3.44070069213549e+00  7.11907044059165e+00 7.11907044059165e+00  3.08717545517445e-02 3.02395082839888e-02  1.97228605035053e-02 1.74830766040191e-02  8.58070764228467e-06 8.47475346529599e-06  1.36722927146803e-05 1.34879249134900e-05  3.07689820017325e-09 3.07694316406772e-09  7.55196007218797e-09 7.55422915260427e-09
-7.77298899449725e+00 4.20953157845452e-04  -4.44556891127389e+01   3.44070072630684e+00 3.44070072630684e+00  7.11907060050638e+00 7.11907060050638e+00  3.10389819057291e-02 3.04033109007406e-02  1.98296980063314e-02 1.75777816416401e-02  8.67392020347999e-06 8.56681505407055e-06  1.38208172515339e-05 1.36344467086227e-05  3.12717062046405e-09 3.12721631905255e-09  7.67534939120544e-09 7.67765554572437e-09
-7.76758679339670e+00 4.23233385035495e-04  -4.44556891127389e+01   3.44070076084938e+00 3.44070076084938e+00  7.11907076215818e+00 7.11907076215818e+00  3.12071151104976e-02 3.05680008175273e-02  1.99371142666955e-02 1.76729997180718e-02  8.76814534185923e-06 8.65987671716341e-06  1.39709552662393e-05 1.37825602267828e-05  3.17826442617082e-09 3.17831087145850e-09  7.80075473932957e-09 7.80309857370290e-09
-7.76218459229615e+00 4.25525963804191e-04  -4.44556891127389e+01   3.44070079576713e+00 3.44070079576713e+00  7.11907092556591e+00 7.11907092556591e+00  3.13761590730500e-02 3.07335828408701e-02  2.00451124202446e-02 1.77687336129855e-02  8.86339405726762e-06 8.75394931860419e-06  1.41227242872568e-05 1.39322827601284e-05  3.23019303743292e-09 3.23024024162109e-09  7.92820905554814e-09 7.93059118542495e-09
-7.75678239119560e+00 4.27830961057809e-04  -4.44556891127389e+01   3.44070083106418e+00 3.44070083106418e+00  7.11907109074867e+00 7.11907109074867e+00  3.15461187269699e-02 3.09000618033292e-02  2.01536956196215e-02 1.78649861211200e-02  8.95967746904684e-06 8.84904384044362e-06  1.42761420334865e-05 1.40836317886911e-05  3.28297009419254e-09 3.28301806968191e-09  8.05774581834995e-09 8.06016686943871e-09
-7.75138019009505e+00 4.30148444065038e-04  -4.44556891127389e+01   3.44070086674465e+00 3.44070086674465e+00  7.11907125772570e+00 7.11907125772570e+00  3.17169990325678e-02 3.10674425636452e-02  2.02628670345566e-02 1.79617600523629e-02  9.05700681733309e-06 8.94517138403559e-06  1.44312264163371e-05 1.42366249824164e-05  3.33660945862168e-09 3.33665821801560e-09  8.18939905168195e-09 8.19185965991444e-09
-7.74597798899450e+00 4.32478480458950e-04  -4.44556891127389e+01   3.44070090281269e+00 3.44070090281269e+00  7.11907142651652e+00 7.11907142651652e+00  3.18888049770263e-02 3.12357300068803e-02  2.03726298519604e-02 1.80590582318334e-02  9.15539346436937e-06 9.04234317133331e-06  1.45879955418177e-05 1.43912802032278e-05  3.39112522011139e-09 3.39117477621916e-09  8.32320333719533e-09 8.32570414889419e-09
-7.74057578789395e+00 4.34821138238971e-04  -4.44556891127389e+01   3.44070093927251e+00 3.44070093927251e+00  7.11907159714080e+00 7.11907159714080e+00  3.20615415745455e-02 3.14049290445611e-02  2.04829872760172e-02 1.81568834999645e-02  9.25484889583206e-06 9.14057054619949e-06  1.47464677126524e-05 1.45476155071132e-05  3.44653169742701e-09 3.44658206326727e-09  8.45919381953584e-09 8.46173549158376e-09
-7.73517358679340e+00 4.37176485772869e-04  -4.44556891127389e+01   3.44070097612838e+00 3.44070097612838e+00  7.11907176961846e+00 7.11907176961846e+00  3.22352138664897e-02 3.15750446148226e-02  2.05939425282785e-02 1.82552387125865e-02  9.35538472217199e-06 9.23986497573077e-06  1.49066614304184e-05 1.47056491462329e-05  3.50284344421729e-09 3.50289463302142e-09  8.59740621986588e-09 8.59998941987887e-09
-7.72977138569285e+00 4.39544591798749e-04  -4.44556891127389e+01   3.44070101338460e+00 3.44070101338460e+00  7.11907194396964e+00 7.11907194396964e+00  3.24098269215340e-02 3.17460816825516e-02  2.07054988477576e-02 1.83541267410102e-02  9.45701267996981e-06 9.34023805159646e-06  1.50685953977058e-05 1.48653995710518e-05  3.56007525088136e-09 3.56012727609697e-09  8.73787684044732e-09 8.74050224694926e-09
-7.72436918459230e+00 4.41925525427055e-04  -4.44556891127389e+01   3.44070105104550e+00 3.44070105104550e+00  7.11907212021467e+00 7.11907212021467e+00  3.25853858358130e-02 3.19180452395320e-02  2.08176594910238e-02 1.84535504721114e-02  9.55974463330641e-06 9.44170149139202e-06  1.52322885203028e-05 1.50268854324947e-05  3.61824215062235e-09 3.61829502591679e-09  8.88064257950012e-09 8.88331088210183e-09
-7.71896698349175e+00 4.44319356142592e-04  -4.44556891127389e+01   3.44070108911549e+00 3.44070108911549e+00  7.11907229837413e+00 7.11907229837413e+00  3.27618957330691e-02 3.20909403045906e-02  2.09304277322984e-02 1.85535128084151e-02  9.66359257514810e-06 9.54426714000706e-06  1.53977599094035e-05 1.51901255841236e-05  3.67735942100912e-09 3.67741316027310e-09  9.02574093503568e-09 9.02845283461527e-09
-7.71356478239120e+00 4.46726153806552e-04  -4.44556891127389e+01   3.44070112759901e+00 3.44070112759901e+00  7.11907247846881e+00 7.11907247846881e+00  3.29393617648023e-02 3.22647719237436e-02  2.10438068635500e-02 1.86540166681805e-02  9.76856862874664e-06 9.64794697100826e-06  1.55650288838395e-05 1.53551390843405e-05  3.73744259059990e-09 3.73749720795113e-09  9.17321002111504e-09 9.17596623000288e-09
-7.70816258129065e+00 4.49145988658550e-04  -4.44556891127389e+01   3.44070116650054e+00 3.44070116650054e+00  7.11907266051971e+00 7.11907266051971e+00  3.31177891104205e-02 3.24395451703439e-02  2.11578001945907e-02 1.87550649854863e-02  9.87468504905478e-06 9.75275308803729e-06  1.57341149723365e-05 1.55219451986126e-05  3.79850744018089e-09 3.79856294996777e-09  9.32308857088884e-09 9.32588981305363e-09
-7.70276038019010e+00 4.51578931318679e-04  -4.44556891127389e+01   3.44070120582464e+00 3.44070120582464e+00  7.11907284454810e+00 7.11907284454810e+00  3.32971829773909e-02 3.26152651452293e-02  2.12724110531738e-02 1.88566607103172e-02  9.98195422415724e-06 9.85869772622415e-06  1.59050379157957e-05 1.56905634017235e-05  3.86057000998680e-09 3.86062642679223e-09  9.47541595432055e-09 9.47826296556070e-09
-7.69735817908954e+00 4.54025052789566e-04  -4.44556891127389e+01   3.44070124557589e+00 3.44070124557589e+00  7.11907303057543e+00 7.11907303057543e+00  3.34775486013918e-02 3.27919369768711e-02  2.13876427850899e-02 1.89588068086490e-02  1.00903886767167e-05 9.96579325361530e-06  1.60778176695979e-05 1.58610133800460e-05  3.92364660059753e-09 3.92370393924271e-09  9.63023218038750e-09 9.63312570852314e-09
-7.69195597798899e+00 4.56484424458448e-04  -4.44556891127389e+01   3.44070128575892e+00 3.44070128575892e+00  7.11907321862343e+00 7.11907321862343e+00  3.36588912464657e-02 3.29695658215246e-02  2.15034987542660e-02 1.90615062625370e-02  1.02000010654361e-05 1.00740521726181e-05  1.62524744059361e-05 1.60333150338438e-05  3.98775378078321e-09 3.98781205633156e-09  9.78757791633675e-09 9.79051872140747e-09
-7.68655377688844e+00 4.58957118099253e-04  -4.44556891127389e+01   3.44070132637843e+00 3.44070132637843e+00  7.11907340871403e+00 7.11907340871403e+00  3.38412162051729e-02 3.31481568633786e-02  2.16199823428630e-02 1.91647620702020e-02  1.03108041865364e-05 1.01834871214601e-05  1.64290285161695e-05 1.62074884795932e-05  4.05290838803995e-09 4.05296761580103e-09  9.94749448900021e-09 9.95048334346338e-09
-7.68115157578789e+00 4.61443205874696e-04  -4.44556891127389e+01   3.44070136743915e+00 3.44070136743915e+00  7.11907360086941e+00 7.11907360086941e+00  3.40245287987459e-02 3.33277153147079e-02  2.17370969513757e-02 1.92685772461188e-02  1.04228109752512e-05 1.02941108756651e-05  1.66075006132070e-05 1.63835540523345e-05  4.11912753708779e-09 4.11918773262138e-09  1.01100239056533e-08 1.01130615945884e-08
-7.67574937468734e+00 4.63942760338385e-04  -4.44556891127389e+01   3.44070140894589e+00 3.44070140894589e+00  7.11907379511201e+00 7.11907379511201e+00  3.42088343772451e-02 3.35082464160247e-02  2.18548459987312e-02 1.93729548211043e-02  1.05360345073359e-05 1.04059363495442e-05  1.67879115339135e-05 1.65615323080465e-05  4.18642862002552e-09 4.18648979914564e-09  1.02752088543948e-08 1.02782961757081e-08
-7.67034717358679e+00 4.66455854436934e-04  -4.44556891127389e+01   3.44070145090347e+00 3.44070145090347e+00  7.11907399146448e+00 7.11907399146448e+00  3.43941383197147e-02 3.36897554362316e-02  2.19732329223896e-02 1.94778978424060e-02  1.06504880005954e-05 1.05189765977040e-05  1.69702823415439e-05 1.67414440260471e-05  4.25482931551130e-09 4.25489149429044e-09  1.04430927266815e-08 1.04462304913174e-08
-7.66494497248624e+00 4.68982561512101e-04  -4.44556891127389e+01   3.44070149331681e+00 3.44070149331681e+00  7.11907418994974e+00 7.11907418994974e+00  3.45804460343399e-02 3.38722476727763e-02  2.20922611784446e-02 1.95834093737916e-02  1.07661848164267e-05 1.06332448165706e-05  1.71546343282032e-05 1.69233102114209e-05  4.32434758851580e-09 4.32441078328909e-09  1.06137196167221e-08 1.06169086488741e-08
-7.65954277138569e+00 4.71522955302920e-04  -4.44556891127389e+01   3.44070153619084e+00 3.44070153619084e+00  7.11907439059096e+00 7.11907439059096e+00  3.47677629586048e-02 3.40557284518052e-02  2.22119342417247e-02 1.96894924956383e-02  1.08831384613791e-05 1.07487543459305e-05  1.73409890173338e-05 1.71071520974721e-05  4.39500170021620e-09 4.39506592758572e-09  1.07871343457625e-08 1.07903754830920e-08
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2.91796698349175e+00 1.85036310073216e+01  -9.18738597588371e-01   1.17389557048407e-10 1.17389557048407e-10  -1.19376581900085e-10 -1.19376581900085e-10  1.47240828452889e-23 7.46892105303695e-24  -2.67408078713141e-23 -1.39658465811411e-23  6.11590984248164e-13 4.90108935734761e-13  -1.13354306826147e-12 -9.23091142149951e-13  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.92336918459230e+00 1.86038618328923e+01  -9.13788768702357e-01   9.05286215594005e-11 9.05286215594005e-11  -9.20610781281053e-11 -9.20610781281053e-11  9.67069260493590e-24 4.88772028058297e-24  -1.75632338448655e-23 -9.13937274826106e-24  4.62859068257548e-13 3.70450382674435e-13  -8.57882697056967e-13 -6.97724900645562e-13  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.92877138569285e+00 1.87046355907334e+01  -9.08865608181666e-01   6.74200867106130e-11 6.74200867106130e-11  -6.85614370851412e-11 -6.85614370851412e-11  6.12892171137800e-24 3.08634425064903e-24  -1.11309335325117e-23 -5.77105266488494e-24  3.38260177662124e-13 2.70382616161442e-13  -6.26948845428835e-13 -5.09254732034359e-13  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.93417358679340e+00 1.88059552218110e+01  -9.03968971363511e-01   4.76272420453991e-11 4.76272420453991e-11  -4.84335696803472e-11 -4.84335696803472e-11  3.68126771022863e-24 1.84697348991956e-24  -6.68567877082536e-24 -3.45359921595831e-24  2.34467479400304e-13 1.87177601767513e-13  -4.34576138479624e-13 -3.52543118939687e-13  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.93957578789395e+00 1.89078236830217e+01  -8.99098716330961e-01   3.07598514398126e-11 3.07598514398126e-11  -3.12806452638103e-11 -3.12806452638103e-11  2.01987901438489e-24 1.00968070268647e-24  -3.66837757053026e-24 -1.88797357934905e-24  1.48575435993227e-13 1.18456390518751e-13  -2.75379895001350e-13 -2.23109900000560e-13  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.94497798899450e+00 1.90102439472792e+01  -8.94254699965802e-01   1.64677865700638e-11 1.64677865700638e-11  -1.67466177865626e-11 -1.67466177865626e-11  9.17880452760316e-25 4.57121113561306e-25  -1.66699900722917e-24 -8.54759031387930e-25  7.80373569177770e-14 6.21370840869665e-14  -1.44640413091069e-13 -1.17034290779559e-13  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.95038019009505e+00 1.91132190036009e+01  -8.89436781886000e-01   4.43888005969674e-12 4.43888005969674e-12  -4.51404291251464e-12 -4.51404291251464e-12  2.09851428225131e-25 1.04120652764013e-25  -3.81119944769058e-25 -1.94692776952797e-25  2.06357724676226e-14 1.64097817757951e-14  -3.82480808983357e-14 -3.09077155585218e-14  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.95578239119560e+00 1.92167518571952e+01  -8.84644820501686e-01   -5.60630772568525e-12 -5.60630772568525e-12  5.70124343866356e-12 5.70124343866356e-12  -2.24596681802132e-25 -1.11019394421882e-25  4.07899893803216e-25 2.07592821998261e-25  -2.55668187419377e-14 -2.03043464821362e-14  4.73878891038483e-14 3.82432589607538e-14  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.96118459229615e+00 1.93208455295491e+01  -8.79878676948862e-01   -1.39163137728772e-11 -1.39163137728772e-11  1.41519808538191e-11 1.41519808538191e-11  -4.71998829472864e-25 -2.32433014367972e-25  8.57218764645550e-25 4.34622090105758e-25  -6.22518181951514e-14 -4.93731790469914e-14  1.15383684111421e-13 9.29948041714712e-14  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.96658679339670e+00 1.94255030585164e+01  -8.75138211149943e-01   -2.07130592601763e-11 -2.07130592601763e-11  2.10638435932186e-11 2.10638435932186e-11  -5.94311173849357e-25 -2.91557969488981e-25  1.07935701006007e-24 5.45179331782779e-25  -9.08832087690440e-14 -7.19856953176773e-14  1.68452570399216e-13 1.35586187420616e-13  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.97198899449725e+00 1.95307274984066e+01  -8.70423285742291e-01   -2.61933977687724e-11 -2.61933977687724e-11  2.66370148427407e-11 2.66370148427407e-11  -6.35223923640942e-25 -3.10443931294957e-25  1.15366182840746e-24 5.80494498018140e-25  -1.12726729931110e-13 -8.91680853925272e-14  2.08940423243636e-13 1.67950105162521e-13  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.97739119559780e+00 1.96365219200737e+01  -8.65733762144714e-01   -3.05326143694372e-11 -3.05326143694372e-11  3.10497448640507e-11 3.10497448640507e-11  -6.25315345498666e-25 -3.04433529773096e-25  1.13566751650282e-24 5.69256328069323e-25  -1.28880122208206e-13 -1.01808739780172e-13  2.38881773919088e-13 1.91759741973548e-13  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.98279339669835e+00 1.97428894110059e+01  -8.61069504479448e-01   -3.38857268928164e-11 -3.38857268928164e-11  3.44596741705340e-11 3.44596741705340e-11  -5.85561373019647e-25 -2.83984221663272e-25  1.06346931177936e-24 5.31018962132602e-25  -1.40288490210283e-13 -1.10671114189242e-13  2.60028277213088e-13 2.08452994905092e-13  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.98819559779890e+00 1.98498330754160e+01  -8.56430375645959e-01   -3.63900673643451e-11 -3.63900673643451e-11  3.70064585352783e-11 3.70064585352783e-11  -5.30150362043295e-25 -2.56118419034160e-25  9.62835319881330e-25 4.78913467382286e-25  -1.47767478088859e-13 -1.16412858300501e-13  2.73891659494746e-13 2.19268496319199e-13  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.99359779889945e+00 1.99573560343315e+01  -8.51816241235054e-01   -3.81692471570421e-11 -3.81692471570421e-11  3.88158013365545e-11 3.88158013365545e-11  -4.68018840969823e-25 -2.25221046114770e-25  8.49995612261255e-25 4.21139148411156e-25  -1.52002784595726e-13 -1.19585138357961e-13  2.81742818258138e-13 2.25244336493431e-13  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.99900000000000e+00 2.00654614256862e+01  -8.47226965509622e-01   -3.93290756391144e-11 -3.93290756391144e-11  3.99953011554786e-11 3.99953011554786e-11  -4.08825240611865e-25 -1.95984057851517e-25  7.42491368512830e-25 3.66469434991629e-25  -1.53889689410568e-13 -1.20912369896119e-13  2.85241082924737e-13 2.27744901776664e-13  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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-7.79459779889945e+00 4.11954439322034e-04  3.44098295975634e-02
-7.78919559779890e+00 4.14185922079899e-04  3.44098295975634e-02
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-7.77839119559780e+00 4.18685215688258e-04  3.44098295975634e-02
-7.77298899449725e+00 4.20953157845452e-04  3.44098295975634e-02
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2.99359779889945e+00 1.99573560343315e+01  6.48201828368894e-19
2.99900000000000e+00 2.00654614256862e+01  5.61014553630504e-19
density.PCC>