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

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

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

 <<< Atom >>>
 AtomSpecies                 31
 max.ocupied.N               4
 total.electron              31.0000
 valence.electron            3.0000
 <ocupied.electrons
 1  1.0000 
 2  1.0000  3.0000 
 3  1.0000  3.0000  5.0000 
 4  1.0000  0.5000  0.0000  0.0000 
 ocupied.electrons>

 <<< parameters for solving 1D-differential equations >>>
 grid.xmin                   -7.500
 grid.xmax                    3.000
 grid.num                    10000
 grid.num.output             2000

 <<< SCF >>>
 scf.maxIter                 50
 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               0.00000000000100

 <<< Pseudo potential >>>
 vps.type                    TM
 number.vps                  2
 <pseudo.NandL
  0    4   0   2.0000
  1    4   1   1.9000
 pseudo.NandL>
 Blochl.projector.num        2
 local.type                  Simple
 local.part.vps              1
 local.cutoff                1.80000
 local.origin.ratio          2.50000
 log.deri.RadF.calc          ON
 log.deri.MinE               -1.00000
 log.deri.MaxE               2.10000
 log.deri.num                50
 <log.deri.R
  0   3.0000
  1   3.0000
 log.deri.R>
 ghost.check                 OFF

 <<< Core electron density for partial core correction >>>
 charge.pcc.calc             ON
 pcc.ratio                   0.30000
 pcc.ratio.origin            2.00000

 <<< Pseudo atomic orbitals >>>
 maxL.pao                    3
 num.pao                     5
 radial.cutoff.pao           7.50000
 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      -374.8622011906358     -374.8622011906358
 n=  2  l=  0       -46.2602788740444      -46.2602788740444
 n=  2  l=  1       -40.0020900094551      -41.0159408307791
 n=  3  l=  0        -5.4072870828643       -5.4072870828643
 n=  3  l=  1        -3.5891545137596       -3.7232001705797
 n=  3  l=  2        -0.6948206957195       -0.7117319958986
 n=  4  l=  0        -0.3367103288849       -0.3367103288849
 n=  4  l=  1        -0.0998912364472       -0.1044125561509

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

 Eeigen =    -1125.8590268809689
 Ekin   =     1978.1385468946196
 EHart  =      840.9446472824275
 Exc    =      -72.7903042383919
 Eec    =    -4689.4781237151792
 Etot   = Ekin + EHart + Exc + Eec
 Etot   =    -1943.1852337765240


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

j.dependent.pseudo.potentials   on

<VPS> L=0, dif of log deris for all electrons =   76.0741230654   76.0741230654
<VPS> L=0, dif of log deris for semi local    =    0.0180621193    0.0180621193
<VPS> L=1, dif of log deris for all electrons =   19.4443924332   68.6166943272
<VPS> L=1, dif of log deris for semi local    =    0.0002061743    0.0008089996

<project.energies
 4
 0  504.20631262015831 504.20631262015831
 0  -521.22059755996031 -521.22059755996031
 1  690.32756641212063 -318.57658496468935
 1  -5019.12676173379532 2325.76005829723817
project.energies>

<Pseudo.Potentials
-7.50000000000000  0.00055308437015  -1.21508092680038    0.40048131933742  0.40048131933742  -0.37706636307522 -0.37706636307522  -0.00000462596908  0.00000949783862   0.00001375768398  0.00002829964158
-7.49500000000000  0.00055585671709  -1.21508092660704    0.40048132022115  0.40048132022115  -0.37706636390727 -0.37706636390727  -0.00000464915685  0.00000954544674   0.00001382664466  0.00002844149413
-7.49000000000000  0.00055864296048  -1.21508092641112    0.40048132111376  0.40048132111376  -0.37706636474769 -0.37706636474769  -0.00000467246085  0.00000959329349   0.00001389595100  0.00002858405771
-7.48500000000000  0.00056144316997  -1.21508092621262    0.40048132201533  0.40048132201533  -0.37706636559656 -0.37706636559656  -0.00000469588165  0.00000964138007   0.00001396560475  0.00002872733589
-7.48000000000000  0.00056425741557  -1.21508092601151    0.40048132292597  0.40048132292597  -0.37706636645396 -0.37706636645396  -0.00000471941986  0.00000968970769   0.00001403560763  0.00002887133227
-7.47500000000000  0.00056708576764  -1.21508092580775    0.40048132384577  0.40048132384577  -0.37706636731997 -0.37706636731997  -0.00000474307605  0.00000973827755   0.00001410596140  0.00002901605042
-7.47000000000000  0.00056992829688  -1.21508092560134    0.40048132477480  0.40048132477480  -0.37706636819469 -0.37706636819469  -0.00000476685081  0.00000978709087   0.00001417666783  0.00002916149398
-7.46500000000000  0.00057278507435  -1.21508092539224    0.40048132571317  0.40048132571317  -0.37706636907820 -0.37706636907820  -0.00000479074475  0.00000983614887   0.00001424772867  0.00002930766658
-7.46000000000000  0.00057565617149  -1.21508092518044    0.40048132666098  0.40048132666098  -0.37706636997059 -0.37706636997059  -0.00000481475846  0.00000988545277   0.00001431914571  0.00002945457187
-7.45500000000000  0.00057854166005  -1.21508092496590    0.40048132761831  0.40048132761831  -0.37706637087194 -0.37706637087194  -0.00000483889254  0.00000993500381   0.00001439092072  0.00002960221352
-7.45000000000000  0.00058144161219  -1.21508092474861    0.40048132858526  0.40048132858526  -0.37706637178236 -0.37706637178236  -0.00000486314759  0.00000998480322   0.00001446305551  0.00002975059524
-7.44500000000000  0.00058435610040  -1.21508092452854    0.40048132956192  0.40048132956192  -0.37706637270193 -0.37706637270193  -0.00000488752422  0.00001003485226   0.00001453555188  0.00002989972072
-7.44000000000000  0.00058728519755  -1.21508092430566    0.40048133054841  0.40048133054841  -0.37706637363073 -0.37706637363073  -0.00000491202303  0.00001008515216   0.00001460841164  0.00003004959369
-7.43500000000000  0.00059022897685  -1.21508092407995    0.40048133154481  0.40048133154481  -0.37706637456887 -0.37706637456887  -0.00000493664465  0.00001013570420   0.00001468163660  0.00003020021791
-7.43000000000000  0.00059318751191  -1.21508092385138    0.40048133255122  0.40048133255122  -0.37706637551644 -0.37706637551644  -0.00000496138968  0.00001018650963   0.00001475522861  0.00003035159713
-7.42500000000000  0.00059616087668  -1.21508092361993    0.40048133356775  0.40048133356775  -0.37706637647354 -0.37706637647354  -0.00000498625875  0.00001023756972   0.00001482918950  0.00003050373514
-7.42000000000000  0.00059914914551  -1.21508092338557    0.40048133459449  0.40048133459449  -0.37706637744025 -0.37706637744025  -0.00000501125248  0.00001028888575   0.00001490352112  0.00003065663575
-7.41500000000000  0.00060215239310  -1.21508092314828    0.40048133563155  0.40048133563155  -0.37706637841668 -0.37706637841668  -0.00000503637149  0.00001034045901   0.00001497822533  0.00003081030278
-7.41000000000000  0.00060517069454  -1.21508092290802    0.40048133667904  0.40048133667904  -0.37706637940292 -0.37706637940292  -0.00000506161640  0.00001039229077   0.00001505330400  0.00003096474007
-7.40500000000000  0.00060820412526  -1.21508092266478    0.40048133773705  0.40048133773705  -0.37706638039907 -0.37706638039907  -0.00000508698786  0.00001044438235   0.00001512875900  0.00003111995147
-7.40000000000000  0.00061125276113  -1.21508092241852    0.40048133880569  0.40048133880569  -0.37706638140524 -0.37706638140524  -0.00000511248649  0.00001049673503   0.00001520459221  0.00003127594088
-7.39500000000000  0.00061431667835  -1.21508092216922    0.40048133988508  0.40048133988508  -0.37706638242152 -0.37706638242152  -0.00000513811294  0.00001054935014   0.00001528080555  0.00003143271218
-7.39000000000000  0.00061739595351  -1.21508092191684    0.40048134097531  0.40048134097531  -0.37706638344801 -0.37706638344801  -0.00000516386783  0.00001060222897   0.00001535740090  0.00003159026931
-7.38500000000000  0.00062049066361  -1.21508092166137    0.40048134207650  0.40048134207650  -0.37706638448481 -0.37706638448481  -0.00000518975183  0.00001065537287   0.00001543438020  0.00003174861619
-7.38000000000000  0.00062360088600  -1.21508092140277    0.40048134318876  0.40048134318876  -0.37706638553204 -0.37706638553204  -0.00000521576557  0.00001070878315   0.00001551174535  0.00003190775680
-7.37500000000000  0.00062672669845  -1.21508092114102    0.40048134431220  0.40048134431220  -0.37706638658979 -0.37706638658979  -0.00000524190970  0.00001076246115   0.00001558949829  0.00003206769509
-7.37000000000000  0.00062986817910  -1.21508092087608    0.40048134544692  0.40048134544692  -0.37706638765818 -0.37706638765818  -0.00000526818488  0.00001081640821   0.00001566764098  0.00003222843508
-7.36500000000000  0.00063302540648  -1.21508092060792    0.40048134659305  0.40048134659305  -0.37706638873730 -0.37706638873730  -0.00000529459177  0.00001087062568   0.00001574617535  0.00003238998079
-7.36000000000000  0.00063619845954  -1.21508092033652    0.40048134775070  0.40048134775070  -0.37706638982726 -0.37706638982726  -0.00000532113102  0.00001092511492   0.00001582510338  0.00003255233624
-7.35500000000000  0.00063938741759  -1.21508092006185    0.40048134891999  0.40048134891999  -0.37706639092818 -0.37706639092818  -0.00000534780330  0.00001097987728   0.00001590442704  0.00003271550551
-7.35000000000000  0.00064259236036  -1.21508091978388    0.40048135010102  0.40048135010102  -0.37706639204016 -0.37706639204016  -0.00000537460928  0.00001103491415   0.00001598414831  0.00003287949266
-7.34500000000000  0.00064581336797  -1.21508091950257    0.40048135129393  0.40048135129393  -0.37706639316332 -0.37706639316332  -0.00000540154962  0.00001109022688   0.00001606426919  0.00003304430181
-7.34000000000000  0.00064905052094  -1.21508091921790    0.40048135249882  0.40048135249882  -0.37706639429777 -0.37706639429777  -0.00000542862500  0.00001114581688   0.00001614479167  0.00003320993706
-7.33500000000000  0.00065230390022  -1.21508091892983    0.40048135371583  0.40048135371583  -0.37706639544362 -0.37706639544362  -0.00000545583609  0.00001120168552   0.00001622571778  0.00003337640256
-7.33000000000000  0.00065557358713  -1.21508091863833    0.40048135494506  0.40048135494506  -0.37706639660099 -0.37706639660099  -0.00000548318358  0.00001125783420   0.00001630704952  0.00003354370248
-7.32500000000000  0.00065885966341  -1.21508091834337    0.40048135618665  0.40048135618665  -0.37706639776998 -0.37706639776998  -0.00000551066815  0.00001131426433   0.00001638878895  0.00003371184099
-7.32000000000000  0.00066216221121  -1.21508091804492    0.40048135744072  0.40048135744072  -0.37706639895073 -0.37706639895073  -0.00000553829049  0.00001137097732   0.00001647093809  0.00003388082229
-7.31500000000000  0.00066548131311  -1.21508091774295    0.40048135870739  0.40048135870739  -0.37706640014334 -0.37706640014334  -0.00000556605129  0.00001142797458   0.00001655349901  0.00003405065062
-7.31000000000000  0.00066881705207  -1.21508091743742    0.40048135998679  0.40048135998679  -0.37706640134794 -0.37706640134794  -0.00000559395124  0.00001148525754   0.00001663647377  0.00003422133022
-7.30500000000000  0.00067216951150  -1.21508091712831    0.40048136127904  0.40048136127904  -0.37706640256464 -0.37706640256464  -0.00000562199103  0.00001154282763   0.00001671986444  0.00003439286535
-7.30000000000000  0.00067553877519  -1.21508091681556    0.40048136258429  0.40048136258429  -0.37706640379357 -0.37706640379357  -0.00000565017138  0.00001160068630   0.00001680367311  0.00003456526031
-7.29500000000000  0.00067892492740  -1.21508091649916    0.40048136390266  0.40048136390266  -0.37706640503486 -0.37706640503486  -0.00000567849298  0.00001165883498   0.00001688790187  0.00003473851940
-7.29000000000000  0.00068232805276  -1.21508091617907    0.40048136523427  0.40048136523427  -0.37706640628862 -0.37706640628862  -0.00000570695655  0.00001171727513   0.00001697255283  0.00003491264695
-7.28500000000000  0.00068574823635  -1.21508091585526    0.40048136657927  0.40048136657927  -0.37706640755497 -0.37706640755497  -0.00000573556278  0.00001177600822   0.00001705762810  0.00003508764732
-7.28000000000000  0.00068918556369  -1.21508091552768    0.40048136793778  0.40048136793778  -0.37706640883406 -0.37706640883406  -0.00000576431241  0.00001183503571   0.00001714312981  0.00003526352489
-7.27500000000000  0.00069264012071  -1.21508091519631    0.40048136930995  0.40048136930995  -0.37706641012600 -0.37706641012600  -0.00000579320615  0.00001189435907   0.00001722906011  0.00003544028404
-7.27000000000000  0.00069611199376  -1.21508091486110    0.40048137069590  0.40048137069590  -0.37706641143093 -0.37706641143093  -0.00000582224471  0.00001195397979   0.00001731542113  0.00003561792921
-7.26500000000000  0.00069960126965  -1.21508091452203    0.40048137209579  0.40048137209579  -0.37706641274897 -0.37706641274897  -0.00000585142884  0.00001201389937   0.00001740221504  0.00003579646482
-7.26000000000000  0.00070310803561  -1.21508091417905    0.40048137350975  0.40048137350975  -0.37706641408025 -0.37706641408025  -0.00000588075924  0.00001207411929   0.00001748944400  0.00003597589535
-7.25500000000000  0.00070663237930  -1.21508091383214    0.40048137493791  0.40048137493791  -0.37706641542492 -0.37706641542492  -0.00000591023667  0.00001213464106   0.00001757711020  0.00003615622527
-7.25000000000000  0.00071017438884  -1.21508091348124    0.40048137638043  0.40048137638043  -0.37706641678310 -0.37706641678310  -0.00000593986186  0.00001219546620   0.00001766521583  0.00003633745911
-7.24500000000000  0.00071373415278  -1.21508091312633    0.40048137783745  0.40048137783745  -0.37706641815493 -0.37706641815493  -0.00000596963554  0.00001225659623   0.00001775376309  0.00003651960138
-7.24000000000000  0.00071731176011  -1.21508091276737    0.40048137930911  0.40048137930911  -0.37706641954055 -0.37706641954055  -0.00000599955846  0.00001231803268   0.00001784275420  0.00003670265665
-7.23500000000000  0.00072090730027  -1.21508091240431    0.40048138079556  0.40048138079556  -0.37706642094009 -0.37706642094009  -0.00000602963137  0.00001237977707   0.00001793219138  0.00003688662948
-7.23000000000000  0.00072452086315  -1.21508091203712    0.40048138229695  0.40048138229695  -0.37706642235370 -0.37706642235370  -0.00000605985502  0.00001244183097   0.00001802207686  0.00003707152448
-7.22500000000000  0.00072815253909  -1.21508091166577    0.40048138381343  0.40048138381343  -0.37706642378151 -0.37706642378151  -0.00000609023017  0.00001250419590   0.00001811241289  0.00003725734627
-7.22000000000000  0.00073180241888  -1.21508091129020    0.40048138534515  0.40048138534515  -0.37706642522368 -0.37706642522368  -0.00000612075758  0.00001256687345   0.00001820320174  0.00003744409950
-7.21500000000000  0.00073547059377  -1.21508091091039    0.40048138689227  0.40048138689227  -0.37706642668034 -0.37706642668034  -0.00000615143800  0.00001262986516   0.00001829444566  0.00003763178883
-7.21000000000000  0.00073915715546  -1.21508091052628    0.40048138845493  0.40048138845493  -0.37706642815164 -0.37706642815164  -0.00000618227221  0.00001269317262   0.00001838614695  0.00003782041895
-7.20500000000000  0.00074286219612  -1.21508091013785    0.40048139003330  0.40048139003330  -0.37706642963772 -0.37706642963772  -0.00000621326098  0.00001275679742   0.00001847830789  0.00003800999459
-7.20000000000000  0.00074658580838  -1.21508090974504    0.40048139162753  0.40048139162753  -0.37706643113874 -0.37706643113874  -0.00000624440508  0.00001282074113   0.00001857093080  0.00003820052049
-7.19500000000000  0.00075032808531  -1.21508090934783    0.40048139323778  0.40048139323778  -0.37706643265485 -0.37706643265485  -0.00000627570529  0.00001288500536   0.00001866401797  0.00003839200139
-7.19000000000000  0.00075408912049  -1.21508090894615    0.40048139486422  0.40048139486422  -0.37706643418619 -0.37706643418619  -0.00000630716239  0.00001294959172   0.00001875757175  0.00003858444210
-7.18500000000000  0.00075786900794  -1.21508090853998    0.40048139650700  0.40048139650700  -0.37706643573293 -0.37706643573293  -0.00000633877717  0.00001301450182   0.00001885159447  0.00003877784742
-7.18000000000000  0.00076166784215  -1.21508090812927    0.40048139816629  0.40048139816629  -0.37706643729520 -0.37706643729520  -0.00000637055043  0.00001307973728   0.00001894608847  0.00003897222219
-7.17500000000000  0.00076548571810  -1.21508090771398    0.40048139984226  0.40048139984226  -0.37706643887318 -0.37706643887318  -0.00000640248294  0.00001314529974   0.00001904105614  0.00003916757127
-7.17000000000000  0.00076932273123  -1.21508090729406    0.40048140153507  0.40048140153507  -0.37706644046702 -0.37706644046702  -0.00000643457552  0.00001321119083   0.00001913649982  0.00003936389954
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 0.09000000000000  1.09417428370521  -1.45211330761926    0.15082651347924  0.15082651347924  -0.14905113737276 -0.14905113737276   0.00356064272456 -0.00745002889265  -0.00088157298911 -0.00185880362461
 0.09500000000000  1.09965885512610  -1.45688308567234    0.14457856098735  0.14457856098735  -0.14295312929105 -0.14295312929105   0.00367367710493 -0.00768668023104  -0.00083049514424 -0.00175219612444
 0.10000000000000  1.10517091807565  -1.46170908234406    0.13828739090319  0.13828739090319  -0.13680570611821 -0.13680570611821   0.00378622584720 -0.00792229983285  -0.00077555238223 -0.00163748002925
 0.10500000000000  1.11071061035571  -1.46659071843160    0.13195617263021  0.13195617263021  -0.13061191241809 -0.13061191241809   0.00389819393698 -0.00815668608012  -0.00071692147369 -0.00151502597695
 0.11000000000000  1.11627807045887  -1.47152734952572    0.12558823552400  0.12558823552400  -0.12437496331853 -0.12437496331853   0.00400948352712 -0.00838963137250  -0.00065479439604 -0.00138523666015
 0.11500000000000  1.12187343757194  -1.47651826511735    0.11918706572342  0.11918706572342  -0.11809824203839 -0.11809824203839   0.00411999406342 -0.00862092240137  -0.00058937800182 -0.00124854612485
 0.12000000000000  1.12749685157938  -1.48156268539182    0.11275630935360  0.11275630935360  -0.11178530373961 -0.11178530373961   0.00422962226217 -0.00885034010948  -0.00052089407068 -0.00110541987193
 0.12500000000000  1.13314845306683  -1.48665975842041    0.10629977402082  0.10629977402082  -0.10543987768522 -0.10543987768522   0.00433826212891 -0.00907765973887  -0.00044957920905 -0.00095635463705
 0.13000000000000  1.13882838332462  -1.49180855655449    0.09982143191274  0.09982143191274  -0.09906587102968 -0.09906587102968   0.00444580494445 -0.00930265080985  -0.00037568482469 -0.00080187832624
 0.13500000000000  1.14453678435131  -1.49700807558117    0.09332541485036  0.09332541485036  -0.09266736444653 -0.09266736444653   0.00455213942594 -0.00952507747166  -0.00029947646824 -0.00064254862014
 0.14000000000000  1.15027379885723  -1.50225723150497    0.08681601549669  0.08681601549669  -0.08624861392872 -0.08624861392872   0.00465715175099 -0.00974469856311  -0.00022123356178 -0.00047895238863
 0.14500000000000  1.15603957026802  -1.50755485746222    0.08029768756869  0.08029768756869  -0.07981405157794 -0.07981405157794   0.00476072560544 -0.00996126772390  -0.00014124900889 -0.00031170485487
 0.15000000000000  1.16183424272828  -1.51289969970943    0.07377504773281  0.07377504773281  -0.07336828811911 -0.07336828811911   0.00486274219901 -0.01017453343843  -0.00005982887932 -0.00014144891404
 0.15500000000000  1.16765796110513  -1.51829041644746    0.06725286963194  0.06725286963194  -0.06691610733343 -0.06691610733343   0.00496308044440 -0.01038423942642   0.00002270854788  0.00003114689716
 0.16000000000000  1.17351087099181  -1.52372557499378    0.06073608181067  0.06073608181067  -0.06046246441000 -0.06046246441000   0.00506161705249 -0.01059012485594   0.00010603351058  0.00020538994853
 0.16500000000000  1.17939311871139  -1.52920364827514    0.05422976666976  0.05422976666976  -0.05401248533552 -0.05401248533552   0.00515822660835 -0.01079192451632   0.00018980546748  0.00038056501889
 0.17000000000000  1.18530485132037  -1.53472301074563    0.04773915996143  0.04773915996143  -0.04757146684075 -0.04757146684075   0.00525278164033 -0.01098936897709   0.00027367382033  0.00055593583912
 0.17500000000000  1.19124621661236  -1.54028193630744    0.04126964480047  0.04126964480047  -0.04114487064036 -0.04114487064036   0.00534515279875 -0.01118218497925   0.00035727910553  0.00073074762206
 0.18000000000000  1.19721736312181  -1.54587859644845    0.03482674487184  0.03482674487184  -0.03473831675130 -0.03473831675130   0.00543520904695 -0.01137009585218   0.00044025429825  0.00090422982966
 0.18500000000000  1.20321844012770  -1.55151105615984    0.02841612211477  0.02841612211477  -0.02835758142004 -0.02835758142004   0.00552281776699 -0.01155282175105   0.00052222584104  0.00107559836280
 0.19000000000000  1.20924959765725  -1.55717727004534    0.02204357301218  0.02204357301218  -0.02200859358573 -0.02200859358573   0.00560784489670 -0.01173007996082   0.00060281483895  0.00124405810145
 0.19500000000000  1.21531098648973  -1.56287507902841    0.01571502270330  0.01571502270330  -0.01569742903670 -0.01569742903670   0.00569015511079 -0.01190158529368   0.00068163847633  0.00140880591102
 0.20000000000000  1.22140275816017  -1.56860220974460    0.00943651307862  0.00943651307862  -0.00943029816669 -0.00943029816669   0.00576961211016 -0.01206705071402   0.00075831190428  0.00156903463572
 0.20500000000000  1.22752506496318  -1.57435626998632    0.00321419858750  0.00321419858750  -0.00321354176674 -0.00321354176674   0.00584607877151 -0.01222618766920   0.00083244962571  0.00172393603757
 0.21000000000000  1.23367805995674  -1.58013474503423   -0.00294566079675 -0.00294566079675   0.00294637619353  0.00294637619353   0.00591941735382 -0.01237870654075   0.00090366714169  0.00187270428348
 0.21500000000000  1.23986189696606  -1.58593499334864   -0.00903670639460 -0.00903670639460   0.00904287558250  0.00904287558250   0.00598948970696 -0.01252431710062   0.00097158264772  0.00201453953676
 0.22000000000000  1.24607673058738  -1.59175424697318   -0.01505249690403 -0.01505249690403   0.01506927702509  0.01506927702509   0.00605615763876 -0.01266272929855   0.00103581936369  0.00214865287372
 0.22500000000000  1.25232271619186  -1.59758960696715   -0.02098651562353 -0.02098651562353   0.02101880949892  0.02101880949892   0.00611928313174 -0.01279365373453   0.00109600730564  0.00227427002912
 0.23000000000000  1.25860000992948  -1.60343803991415   -0.02683218066663 -0.02683218066663   0.02688462113422  0.02688462113422   0.00617872861738 -0.01291680225187   0.00115178529863  0.00239063564458
 0.23500000000000  1.26490876873289  -1.60929637297248   -0.03258285384293 -0.03258285384293   0.03265978861188  0.03265978861188   0.00623435723773 -0.01303188850470   0.00120280296902  0.00249701747259
 0.24000000000000  1.27124915032140  -1.61516129484672   -0.03823185968518 -0.03823185968518   0.03833733749126  0.03833733749126   0.00628603326846 -0.01313862886036   0.00124872331318  0.00259271178027
 0.24500000000000  1.27762131320489  -1.62102935187566   -0.04377249676460 -0.04377249676460   0.04391025435731  0.04391025435731   0.00633362242209 -0.01323674305182   0.00128922481161  0.00267704779870
 0.25000000000000  1.28402541668774  -1.62689694462914   -0.04919805078103 -0.04919805078103   0.04937150089588  0.04937150089588   0.00637699218737 -0.01332595490531   0.00132400366352  0.00274939242005
 0.25500000000000  1.29046162087289  -1.63276032290273   -0.05450180655711 -0.05450180655711   0.05471402679685  0.05471402679685   0.00641601216558 -0.01340599306247   0.00135277601390  0.00280915487593
 0.26000000000000  1.29693008666577  -1.63861558658828   -0.05967706865251 -0.05967706865251   0.05993079202689  0.05993079202689   0.00645055453151 -0.01347659195829   0.00137528052260  0.00285579211944
 0.26500000000000  1.30343097577837  -1.64445868332053   -0.06471717749803 -0.06471717749803   0.06501478432976  0.06501478432976   0.00648049443267 -0.01353749267002   0.00139128065739  0.00288881362471
 0.27000000000000  1.30996445073325  -1.65028540502873   -0.06961552493473 -0.06961552493473   0.06995903609483  0.06995903609483   0.00650571039153 -0.01358844377251   0.00140056694891  0.00290778610110
 0.27500000000000  1.31653067486762  -1.65609138369923   -0.07436557003588 -0.07436557003588   0.07475664152294  0.07475664152294   0.00652608472826 -0.01362920223669   0.00140295927067  0.00291233825408
 0.28000000000000  1.32312981233744  -1.66187209123912   -0.07896086010241 -0.07896086010241   0.07940077946622  0.07940077946622   0.00654150405178 -0.01365953446515   0.00139830917523  0.00290216564938
 0.28500000000000  1.32976202812147  -1.66762283983761   -0.08339505170122 -0.08339505170122   0.08388473638032  0.08388473638032   0.00655185974741 -0.01367921731733   0.00138650204408  0.00287703517632
 0.29000000000000  1.33642748802547  -1.67333877839006   -0.08766192823603 -0.08766192823603   0.08820192546678  0.08820192546678   0.00655704844159 -0.01368803908957   0.00136745911374  0.00283678924954
 0.29500000000000  1.34312635868628  -1.67901488966408   -0.09175541933320 -0.09175541933320   0.09234590777555  0.09234590777555   0.00655697250437 -0.01368580057190   0.00134113948150  0.00278134995790
 0.30000000000000  1.34985880757600  -1.68464598891157   -0.09566962218632 -0.09566962218632   0.09631041545090  0.09631041545090   0.00655154058335 -0.01367231616684   0.00130754200798  0.00271072298537
 0.30500000000000  1.35662500300622  -1.69022672746980   -0.09939882592298 -0.09939882592298   0.10008937839515  0.10008937839515   0.00654066814374 -0.01364741501081   0.00126670683823  0.00262500071494
 0.31000000000000  1.36342511413218  -1.69575158951616   -0.10293753113351 -0.10293753113351   0.10367694550309  0.10367694550309   0.00652427799760 -0.01361094208013   0.00121871689962  0.00252436528644
 0.31500000000000  1.37025931095700  -1.70121489084586   -0.10628047164619 -0.10628047164619   0.10706750833835  0.10706750833835   0.00650230086545 -0.01356275935949   0.00116369922119  0.00240909126811
 0.32000000000000  1.37712776433596  -1.70661077699547   -0.10942263682112 -0.10942263682112   0.11025572530134  0.11025572530134   0.00647467596814 -0.01350274707259   0.00110182613691  0.00227954807673
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 0.33000000000000  1.39096812846378  -1.71717606485464   -0.11508602274902 -0.11508602274902   0.11600524932314  0.11600524932314   0.00640228557564 -0.01334685268228   0.00095843216219  0.00197961071078
 0.33500000000000  1.39794038522247  -1.72233293347474   -0.11759871151228 -0.11759871151228   0.11855743767532  0.11855743767532   0.00635744609722 -0.01325083264781   0.00087748637364  0.00181043673172
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 0.35000000000000  1.41906754859326  -1.73722179587094   -0.12381687036238 -0.12381687036238   0.12487669526293  0.12487669526293   0.00618813419954 -0.01289013744047   0.00060207629266  0.00123543917446
 0.35500000000000  1.42618065428148  -1.74196807023664   -0.12543966913072 -0.12543966913072   0.12652665326032  0.12652665326032   0.00612010753979 -0.01274574376814   0.00050090614052  0.00102442245596
 0.36000000000000  1.43332941456034  -1.74659423530557   -0.12683358088280 -0.12683358088280   0.12794414419696  0.12794414419696   0.00604632225290 -0.01258936122712   0.00039590582899  0.00080552426297
 0.36500000000000  1.44051400814922  -1.75109300858243   -0.12799692455655 -0.12799692455655   0.12912734015207  0.12912734015207   0.00596682024512 -0.01242108777866   0.00028764775335  0.00057994584450
 0.37000000000000  1.44773461466332  -1.75545696911259   -0.12892849694461 -0.12892849694461   0.13007491865423  0.13007491865423   0.00588165767501 -0.01224105131738   0.00017674087430  0.00034896369125
 0.37500000000000  1.45499141461820  -1.75967856192660   -0.12962759270949 -0.12962759270949   0.13078608352605  0.13078608352605   0.00579090552783 -0.01204941081932   0.00006382778895  0.00011392328186
 0.38000000000000  1.46228458943422  -1.76375010223338   -0.13009402528185 -0.13009402528185   0.13126058648384  0.13126058648384   0.00569465023276 -0.01184635757668  -0.00005041847845 -0.00012376775133
 0.38500000000000  1.46961432144114  -1.76766378604126   -0.13032814352997 -0.13032814352997   0.13149874431589  0.13149874431589   0.00559299409143 -0.01163211602393  -0.00016529888342 -0.00036264894836
 0.39000000000000  1.47698079388264  -1.77141170171736   -0.13033084546152 -0.13033084546152   0.13150145276564  0.13150145276564   0.00548605562974 -0.01140694440016  -0.00028009328087 -0.00060121739992
 0.39500000000000  1.48438419092091  -1.77498583692300   -0.13010359492590 -0.13010359492590   0.13127020322893  0.13127020322893   0.00537397011212 -0.01117113575667  -0.00039406502537 -0.00083793744438
 0.40000000000000  1.49182469764127  -1.77837808759293   -0.12964843737323 -0.12964843737323   0.13080709832803  0.13080709832803   0.00525689001768 -0.01092501887919  -0.00050646612054 -0.00107125149612
 0.40500000000000  1.49930250005677  -1.78158026974310   -0.12896801300880 -0.12896801300880   0.13011486462815  0.13011486462815   0.00513498542268 -0.01066895900735  -0.00061654302984 -0.00129959223400
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 0.41500000000000  1.51437074069205  -1.78738139546180   -0.12694492816459 -0.12694492816459   0.12805706097775  0.12805706097775   0.00487747162616 -0.01012865424653  -0.00082672315241 -0.00173512089865
 0.42000000000000  1.52196155561863  -1.78996370987964   -0.12561058299083 -0.12561058299083   0.12670011635221  0.12670011635221   0.00474229218555 -0.00984532473049  -0.00092535106494 -0.00193924976169
 0.42500000000000  1.52959041966338  -1.79232272695483   -0.12406761800795 -0.12406761800795   0.12513130737940  0.12513130737940   0.00460314827740 -0.00955388386282  -0.00101871773992 -0.00213231539965
 0.43000000000000  1.53725752354828  -1.79445009583717   -0.12232174395224 -0.12232174395224   0.12335656025630  0.12335656025630   0.00446030065478 -0.00925488349377  -0.00110614261683 -0.00231291184495
 0.43500000000000  1.54496305895134  -1.79633748557668   -0.12037929281956 -0.12037929281956   0.12138244321982  0.12138244321982   0.00431402839621 -0.00894891293208  -0.00118698110098 -0.00247970977594
 0.44000000000000  1.55270721851134  -1.79797660570332   -0.11824721627778 -0.11824721627778   0.11921616279252  0.11921616279252   0.00416462884071 -0.00863659872278  -0.00126063185691 -0.00263147158973
 0.44500000000000  1.56049019583267  -1.79935922690488   -0.11593308675154 -0.11593308675154   0.11686556264777  0.11686556264777   0.00401241760709 -0.00831860460116  -0.00132654397416 -0.00276706618436
 0.45000000000000  1.56831218549017  -1.80047721157957   -0.11344507570462 -0.11344507570462   0.11433909888821  0.11433909888821   0.00385772782875 -0.00799562980847  -0.00138422476426 -0.00288548498735
 0.45500000000000  1.57617338303399  -1.80132253849680   -0.11079194530890 -0.11079194530890   0.11164582904913  0.11164582904913   0.00370090984800 -0.00766840837601  -0.00143324644675 -0.00298585566449
 0.46000000000000  1.58407398499448  -1.80188733052493   -0.10798303595160 -0.10798303595160   0.10879539676785  0.10879539676785   0.00354233074879 -0.00733770807398  -0.00147325267007 -0.00306745545217
 0.46500000000000  1.59201418888710  -1.80216388347811   -0.10502825669683 -0.10502825669683   0.10579801944439  0.10579801944439   0.00338237396067 -0.00700432951035  -0.00150396468194 -0.00312972373986
 0.47000000000000  1.59999419321736  -1.80214470289014   -0.10193805206001 -0.10193805206001   0.10266445158453  0.10266445158453   0.00322143805206 -0.00666910354895  -0.00152518715783 -0.00317227388046
 0.47500000000000  1.60801419748578  -1.80182253863491   -0.09872337706107 -0.09872337706107   0.09940595673422  0.09940595673422   0.00305993577600 -0.00633288926258  -0.00153681295819 -0.00319490276917
 0.48000000000000  1.61607440219289  -1.80119042130514   -0.09539567331880 -0.09539567331880   0.09603428055809  0.09603428055809   0.00289829310845 -0.00599657187659  -0.00153882717341 -0.00319759892870
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Pseudo.Potentials>


***********************************************************
**            Core electron densities for PCC            **
***********************************************************
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density.PCC>