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

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

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

 <<< 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   2.9000
  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      -367.6074891205204     -367.6074891205204
 n=  2  l=  0       -46.0511577886142      -46.0511577886142
 n=  2  l=  1       -39.6437466501225      -40.6007835421301
 n=  3  l=  0        -5.3112776278480       -5.3112776278480
 n=  3  l=  1        -3.4944925035118       -3.6224704541746
 n=  3  l=  2        -0.7268662881113       -0.7446002349592
 n=  4  l=  0        -0.3365024531582       -0.3365024531582
 n=  4  l=  1        -0.1049186518531       -0.1090850999417

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

 Eeigen =    -1108.1616679213485
 Ekin   =     1945.0728877302693
 EHart  =      838.8472795661670
 Exc    =      -60.7355378941130
 Eec    =    -4654.4482992766561
 Etot   = Ekin + EHart + Exc + Eec
 Etot   =    -1931.2636698743329


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

j.dependent.pseudo.potentials   on

<VPS> L=0, dif of log deris for all electrons =  142.4744158009  142.4744158009
<VPS> L=0, dif of log deris for semi local    =    0.0665157627    0.0665157627
<VPS> L=1, dif of log deris for all electrons =  146.3383772865  267.4195416013
<VPS> L=1, dif of log deris for semi local    =    0.0002582006    0.0007200846

<project.energies
 4
 0  -1005.47667627399801 -1005.47667627399801
 0  989.50558970121006 989.50558970121006
 1  749.92958763153172 -345.42402892518800
 1  -2721.06025938256835 1269.08422105959676
project.energies>

<Pseudo.Potentials
-7.50000000000000  0.00055308437015  -1.39427287460685    0.40076261231553  0.40076261231553   0.41259000037216  0.41259000037216  -0.00000538410650  0.00001099897052   0.00001718353538  0.00003519221371
-7.49500000000000  0.00055585671709  -1.39427287749685    0.40076261321501  0.40076261321501   0.41259000129819  0.41259000129819  -0.00000541109445  0.00001105410309   0.00001726966821  0.00003536861541
-7.49000000000000  0.00055864296048  -1.39427288044039    0.40076261412353  0.40076261412353   0.41259000223352  0.41259000223352  -0.00000543821767  0.00001110951201   0.00001735623278  0.00003554590134
-7.48500000000000  0.00056144316997  -1.39427288343813    0.40076261504118  0.40076261504118   0.41259000317825  0.41259000317825  -0.00000546547685  0.00001116519867   0.00001744323126  0.00003572407591
-7.48000000000000  0.00056425741557  -1.39427288649076    0.40076261596805  0.40076261596805   0.41259000413248  0.41259000413248  -0.00000549287267  0.00001122116446   0.00001753066582  0.00003590314358
-7.47500000000000  0.00056708576764  -1.39427288959894    0.40076261690424  0.40076261690424   0.41259000509630  0.41259000509630  -0.00000552040580  0.00001127741078   0.00001761853864  0.00003608310884
-7.47000000000000  0.00056992829688  -1.39427289276337    0.40076261784984  0.40076261784984   0.41259000606980  0.41259000606980  -0.00000554807695  0.00001133393904   0.00001770685193  0.00003626397618
-7.46500000000000  0.00057278507435  -1.39427289598474    0.40076261880494  0.40076261880494   0.41259000705309  0.41259000705309  -0.00000557588680  0.00001139075064   0.00001779560790  0.00003644575011
-7.46000000000000  0.00057565617149  -1.39427289926377    0.40076261976964  0.40076261976964   0.41259000804626  0.41259000804626  -0.00000560383605  0.00001144784702   0.00001788480875  0.00003662843520
-7.45500000000000  0.00057854166005  -1.39427290260116    0.40076262074403  0.40076262074403   0.41259000904941  0.41259000904941  -0.00000563192540  0.00001150522959   0.00001797445673  0.00003681203599
-7.45000000000000  0.00058144161219  -1.39427290599763    0.40076262172822  0.40076262172822   0.41259001006264  0.41259001006264  -0.00000566015554  0.00001156289979   0.00001806455406  0.00003699655709
-7.44500000000000  0.00058435610040  -1.39427290945390    0.40076262272230  0.40076262272230   0.41259001108606  0.41259001108606  -0.00000568852719  0.00001162085907   0.00001815510302  0.00003718200310
-7.44000000000000  0.00058728519755  -1.39427291297072    0.40076262372637  0.40076262372637   0.41259001211976  0.41259001211976  -0.00000571704105  0.00001167910887   0.00001824610585  0.00003736837867
-7.43500000000000  0.00059022897685  -1.39427291654883    0.40076262474053  0.40076262474053   0.41259001316385  0.41259001316385  -0.00000574569784  0.00001173765065   0.00001833756483  0.00003755568845
-7.43000000000000  0.00059318751191  -1.39427292018898    0.40076262576488  0.40076262576488   0.41259001421843  0.41259001421843  -0.00000577449826  0.00001179648587   0.00001842948225  0.00003774393712
-7.42500000000000  0.00059616087668  -1.39427292389193    0.40076262679953  0.40076262679953   0.41259001528362  0.41259001528362  -0.00000580344306  0.00001185561600   0.00001852186042  0.00003793312939
-7.42000000000000  0.00059914914551  -1.39427292765844    0.40076262784458  0.40076262784458   0.41259001635950  0.41259001635950  -0.00000583253294  0.00001191504252   0.00001861470163  0.00003812327000
-7.41500000000000  0.00060215239310  -1.39427293148930    0.40076262890012  0.40076262890012   0.41259001744620  0.41259001744620  -0.00000586176863  0.00001197476692   0.00001870800821  0.00003831436368
-7.41000000000000  0.00060517069454  -1.39427293538529    0.40076262996628  0.40076262996628   0.41259001854383  0.41259001854383  -0.00000589115087  0.00001203479069   0.00001880178248  0.00003850641523
-7.40500000000000  0.00060820412526  -1.39427293934719    0.40076263104315  0.40076263104315   0.41259001965248  0.41259001965248  -0.00000592068038  0.00001209511533   0.00001889602681  0.00003869942944
-7.40000000000000  0.00061125276113  -1.39427294337582    0.40076263213085  0.40076263213085   0.41259002077227  0.41259002077227  -0.00000595035791  0.00001215574235   0.00001899074354  0.00003889341114
-7.39500000000000  0.00061431667835  -1.39427294747199    0.40076263322948  0.40076263322948   0.41259002190332  0.41259002190332  -0.00000598018421  0.00001221667326   0.00001908593503  0.00003908836517
-7.39000000000000  0.00061739595351  -1.39427295163650    0.40076263433914  0.40076263433914   0.41259002304574  0.41259002304574  -0.00000601016000  0.00001227790959   0.00001918160368  0.00003928429642
-7.38500000000000  0.00062049066361  -1.39427295516669    0.40076263545997  0.40076263545997   0.41259002419964  0.41259002419964  -0.00000604028606  0.00001233945287   0.00001927775186  0.00003948120977
-7.38000000000000  0.00062360088600  -1.39427295835044    0.40076263659205  0.40076263659205   0.41259002536513  0.41259002536513  -0.00000607056312  0.00001240130463   0.00001937438200  0.00003967911016
-7.37500000000000  0.00062672669845  -1.39427296159946    0.40076263773551  0.40076263773551   0.41259002654234  0.41259002654234  -0.00000610099194  0.00001246346643   0.00001947149649  0.00003987800253
-7.37000000000000  0.00062986817910  -1.39427296491457    0.40076263889047  0.40076263889047   0.41259002773138  0.41259002773138  -0.00000613157329  0.00001252593981   0.00001956909777  0.00004007789185
-7.36500000000000  0.00063302540648  -1.39427296829662    0.40076264005703  0.40076264005703   0.41259002893237  0.41259002893237  -0.00000616230793  0.00001258872635   0.00001966718828  0.00004027878312
-7.36000000000000  0.00063619845954  -1.39427297174645    0.40076264123531  0.40076264123531   0.41259003014543  0.41259003014543  -0.00000619319662  0.00001265182760   0.00001976577046  0.00004048068136
-7.35500000000000  0.00063938741759  -1.39427297526491    0.40076264242544  0.40076264242544   0.41259003137068  0.41259003137068  -0.00000622424015  0.00001271524515   0.00001986484680  0.00004068359162
-7.35000000000000  0.00064259236036  -1.39427297842124    0.40076264362753  0.40076264362753   0.41259003260825  0.41259003260825  -0.00000625543928  0.00001277898058   0.00001996441976  0.00004088751897
-7.34500000000000  0.00064581336797  -1.39427298092579    0.40076264484170  0.40076264484170   0.41259003385825  0.41259003385825  -0.00000628679480  0.00001284303549   0.00002006449182  0.00004109246852
-7.34000000000000  0.00064905052094  -1.39427298349595    0.40076264606808  0.40076264606808   0.41259003512082  0.41259003512082  -0.00000631830749  0.00001290741147   0.00002016506551  0.00004129844537
-7.33500000000000  0.00065230390022  -1.39427298613243    0.40076264730677  0.40076264730677   0.41259003639607  0.41259003639607  -0.00000634997814  0.00001297211014   0.00002026614331  0.00004150545469
-7.33000000000000  0.00065557358713  -1.39427298883611    0.40076264855792  0.40076264855792   0.41259003768414  0.41259003768414  -0.00000638180753  0.00001303713312   0.00002036772778  0.00004171350165
-7.32500000000000  0.00065885966341  -1.39427299160787    0.40076264982164  0.40076264982164   0.41259003898516  0.41259003898516  -0.00000641379648  0.00001310248202   0.00002046982144  0.00004192259145
-7.32000000000000  0.00066216221121  -1.39427299444862    0.40076265109806  0.40076265109806   0.41259004029925  0.41259004029925  -0.00000644594577  0.00001316815848   0.00002057242684  0.00004213272931
-7.31500000000000  0.00066548131311  -1.39427299735925    0.40076265238731  0.40076265238731   0.41259004162655  0.41259004162655  -0.00000647825620  0.00001323416415   0.00002067554656  0.00004234392050
-7.31000000000000  0.00066881705207  -1.39427300034067    0.40076265368952  0.40076265368952   0.41259004296719  0.41259004296719  -0.00000651072860  0.00001330050068   0.00002077918316  0.00004255617028
-7.30500000000000  0.00067216951150  -1.39427300339382    0.40076265500482  0.40076265500482   0.41259004432130  0.41259004432130  -0.00000654336376  0.00001336716971   0.00002088333925  0.00004276948397
-7.30000000000000  0.00067553877519  -1.39427300651962    0.40076265633333  0.40076265633333   0.41259004568902  0.41259004568902  -0.00000657616250  0.00001343417293   0.00002098801742  0.00004298386690
-7.29500000000000  0.00067892492740  -1.39427300971903    0.40076265767520  0.40076265767520   0.41259004707049  0.41259004707049  -0.00000660912565  0.00001350151200   0.00002109322029  0.00004319932443
-7.29000000000000  0.00068232805276  -1.39427301299299    0.40076265903055  0.40076265903055   0.41259004846584  0.41259004846584  -0.00000664225403  0.00001356918861   0.00002119895050  0.00004341586195
-7.28500000000000  0.00068574823635  -1.39427301634248    0.40076266039952  0.40076266039952   0.41259004987521  0.41259004987521  -0.00000667554847  0.00001363720445   0.00002130521067  0.00004363348486
-7.28000000000000  0.00068918556369  -1.39427301976847    0.40076266178225  0.40076266178225   0.41259005129875  0.41259005129875  -0.00000670900980  0.00001370556123   0.00002141200348  0.00004385219862
-7.27500000000000  0.00069264012071  -1.39427302327195    0.40076266317888  0.40076266317888   0.41259005273660  0.41259005273660  -0.00000674263885  0.00001377426064   0.00002151933160  0.00004407200868
-7.27000000000000  0.00069611199376  -1.39427302685393    0.40076266458954  0.40076266458954   0.41259005418889  0.41259005418889  -0.00000677643646  0.00001384330441   0.00002162719769  0.00004429292054
-7.26500000000000  0.00069960126965  -1.39427303051540    0.40076266601438  0.40076266601438   0.41259005565579  0.41259005565579  -0.00000681040349  0.00001391269426   0.00002173560447  0.00004451493973
-7.26000000000000  0.00070310803561  -1.39427303425739    0.40076266745355  0.40076266745355   0.41259005713742  0.41259005713742  -0.00000684454078  0.00001398243193   0.00002184455464  0.00004473807179
-7.25500000000000  0.00070663237930  -1.39427303808095    0.40076266890717  0.40076266890717   0.41259005863395  0.41259005863395  -0.00000687884918  0.00001405251916   0.00002195405092  0.00004496232231
-7.25000000000000  0.00071017438884  -1.39427304198710    0.40076267037541  0.40076267037541   0.41259006014551  0.41259006014551  -0.00000691332956  0.00001412295771   0.00002206409605  0.00004518769689
-7.24500000000000  0.00071373415278  -1.39427304597690    0.40076267185840  0.40076267185840   0.41259006167227  0.41259006167227  -0.00000694798276  0.00001419374933   0.00002217469279  0.00004541420117
-7.24000000000000  0.00071731176011  -1.39427305005143    0.40076267335629  0.40076267335629   0.41259006321437  0.41259006321437  -0.00000698280967  0.00001426489579   0.00002228584390  0.00004564184080
-7.23500000000000  0.00072090730027  -1.39427305421177    0.40076267486924  0.40076267486924   0.41259006477197  0.41259006477197  -0.00000701781115  0.00001433639888   0.00002239755215  0.00004587062148
-7.23000000000000  0.00072452086315  -1.39427305845900    0.40076267639739  0.40076267639739   0.41259006634522  0.41259006634522  -0.00000705298807  0.00001440826038   0.00002250982035  0.00004610054892
-7.22500000000000  0.00072815253909  -1.39427306279423    0.40076267794091  0.40076267794091   0.41259006793429  0.41259006793429  -0.00000708834132  0.00001448048209   0.00002262265129  0.00004633162889
-7.22000000000000  0.00073180241888  -1.39427306721857    0.40076267949993  0.40076267949993   0.41259006953932  0.41259006953932  -0.00000712387178  0.00001455306580   0.00002273604780  0.00004656386714
-7.21500000000000  0.00073547059377  -1.39427307173316    0.40076268107463  0.40076268107463   0.41259007116049  0.41259007116049  -0.00000715958033  0.00001462601335   0.00002285001271  0.00004679726950
-7.21000000000000  0.00073915715546  -1.39427307633913    0.40076268266515  0.40076268266515   0.41259007279795  0.41259007279795  -0.00000719546788  0.00001469932655   0.00002296454887  0.00004703184179
-7.20500000000000  0.00074286219612  -1.39427308103764    0.40076268427165  0.40076268427165   0.41259007445186  0.41259007445186  -0.00000723153531  0.00001477300723   0.00002307965914  0.00004726758988
-7.20000000000000  0.00074658580838  -1.39427308582985    0.40076268589430  0.40076268589430   0.41259007612240  0.41259007612240  -0.00000726778353  0.00001484705724   0.00002319534641  0.00004750451966
-7.19500000000000  0.00075032808531  -1.39427309071695    0.40076268753326  0.40076268753326   0.41259007780973  0.41259007780973  -0.00000730421345  0.00001492147842   0.00002331161357  0.00004774263706
-7.19000000000000  0.00075408912049  -1.39427309570012    0.40076268918869  0.40076268918869   0.41259007951401  0.41259007951401  -0.00000734082597  0.00001499627264   0.00002342846351  0.00004798194802
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-7.18000000000000  0.00076166784215  -1.39427310595953    0.40076269254962  0.40076269254962   0.41259008297414  0.41259008297414  -0.00000741460249  0.00001514698769   0.00002366392348  0.00004846417462
-7.17500000000000  0.00076548571810  -1.39427311123821    0.40076269425547  0.40076269425547   0.41259008473033  0.41259008473033  -0.00000745176834  0.00001522291228   0.00002378253938  0.00004870710230
-7.17000000000000  0.00076932273123  -1.39427311661788    0.40076269597846  0.40076269597846   0.41259008650416  0.41259008650416  -0.00000748912048  0.00001529921745   0.00002390174985  0.00004895124767
-7.16500000000000  0.00077317897746  -1.39427312209977    0.40076269771876  0.40076269771876   0.41259008829583  0.41259008829583  -0.00000752665986  0.00001537590509   0.00002402155787  0.00004919661682
-7.16000000000000  0.00077705455322  -1.39427312768518    0.40076269947656  0.40076269947656   0.41259009010550  0.41259009010550  -0.00000756438739  0.00001545297714   0.00002414196643  0.00004944321589
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 0.06500000000000  1.06715902438419  -1.39655730320488    0.18328636035804  0.18328636035804   0.18462104044404  0.18462104044404   0.00247449498023 -0.00517532173169  -0.00121520465412 -0.00254798262397
 0.07000000000000  1.07250818125422  -1.39903429228498    0.17722122556935  0.17722122556935   0.17846448355090  0.17846448355090   0.00259611861485 -0.00543003425421  -0.00121264578528 -0.00254277713231
 0.07500000000000  1.07788415088463  -1.40156533100974    0.17109642008965  0.17109642008965   0.17225102100126  0.17225102100126   0.00271780890215 -0.00568490187687  -0.00120481344646 -0.00252650521465
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 0.08500000000000  1.08871706669840  -1.40679117765957    0.15867743235783  0.15867743235783   0.15966336090418  0.15966336090418   0.00296105792531 -0.00619439840233  -0.00117364601965 -0.00246142036742
 0.09000000000000  1.09417428370521  -1.40948636991714    0.15238844642068  0.15238844642068   0.15329452381411  0.15329452381411   0.00308244352996 -0.00644865956685  -0.00115050760499 -0.00241301653389
 0.09500000000000  1.09965885512610  -1.41223691760764    0.14605018481108  0.14605018481108   0.14687950362845  0.14687950362845   0.00320354958060 -0.00670234048217  -0.00112248948627 -0.00235436536943
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 0.10500000000000  1.11071061035571  -1.41790474639813    0.13323793231283  0.13323793231283   0.13392329171455  0.13392329171455   0.00344454455942 -0.00720715753300  -0.00105237883268 -0.00220750145515
 0.11000000000000  1.11627807045887  -1.42082226893900    0.12677039388630  0.12677039388630   0.12738867967908  0.12738867967908   0.00356423683226 -0.00745787587030  -0.00101060884470 -0.00211996389993
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 0.12000000000000  1.12749685157938  -1.42682606668702    0.11372983977482  0.11372983977482   0.11422406649564  0.11422406649564   0.00380149749048 -0.00795484137169  -0.00091456657479 -0.00191862072359
 0.12500000000000  1.13314845306683  -1.42991209481210    0.10716425586771  0.10716425586771   0.10760158919575  0.10760158919575   0.00391885183838 -0.00820063387639  -0.00086071341951 -0.00180569451834
 0.13000000000000  1.13882838332462  -1.43305430526261    0.10057370196846  0.10057370196846   0.10095761638533  0.10095761638533   0.00403520801654 -0.00844431957412  -0.00080327859436 -0.00168524177314
 0.13500000000000  1.14453678435131  -1.43625277976848    0.09396231108298  0.09396231108298   0.09429631012508  0.09429631012508   0.00415045191898 -0.00868565615938  -0.00074251152065 -0.00155778646301
 0.14000000000000  1.15027379885723  -1.43950720456142    0.08733438247319  0.08733438247319   0.08762199136859  0.08762199136859   0.00426446671315 -0.00892439558288  -0.00067867705386 -0.00142388518584
 0.14500000000000  1.15603957026802  -1.44281746797603    0.08069438220112  0.08069438220112   0.08093914019873  0.08093914019873   0.00437713288094 -0.00916028414863  -0.00061205518405 -0.00128412652079
 0.15000000000000  1.16183424272828  -1.44618370023469    0.07404694540039  0.07404694540039   0.07425239777029  0.07425239777029   0.00448832822533 -0.00939306253858  -0.00054294081601 -0.00113913055236
 0.15500000000000  1.16765796110513  -1.44960541807241    0.06739687058414  0.06739687058414   0.06756656039213  0.06756656039213   0.00459792804784 -0.00962246620084  -0.00047164289752 -0.00098954702112
 0.16000000000000  1.17351087099181  -1.45308223630171    0.06074911790217  0.06074911790217   0.06088657755030  0.06088657755030   0.00470580523787 -0.00984822555101  -0.00039848377663 -0.00083605395316
 0.16500000000000  1.17939311871139  -1.45661387103332    0.05410880845887  0.05410880845887   0.05421755098701  0.05421755098701   0.00481183034148 -0.01007006613030  -0.00032379858388 -0.00067935633972
 0.17000000000000  1.18530485132037  -1.46019984944650    0.04748122420623  0.04748122420623   0.04756473434597  0.04756473434597   0.00491587162193 -0.01028770874690  -0.00024793460052 -0.00052018478540
 0.17500000000000  1.19124621661236  -1.46383961886683    0.04087180227039  0.04087180227039   0.04093352736130  0.04093352736130   0.00501779523511 -0.01050086986165  -0.00017125014162 -0.00035929313357
 0.18000000000000  1.19721736312181  -1.46753266099222    0.03428612845208  0.03428612845208   0.03432946928031  0.03432946928031   0.00511746541782 -0.01070926200124  -0.00009411331528 -0.00019745582906
 0.18500000000000  1.20321844012770  -1.47127836372123    0.02772993530235  0.02772993530235   0.02775823679531  0.02775823679531   0.00521474458576 -0.01091259397990  -0.00001690107015 -0.00003546588555
 0.19000000000000  1.20924959765725  -1.47507604266240    0.02120909880117  0.02120909880117   0.02122564061245  0.02122564061245   0.00530949346343 -0.01111057118991   0.00006000192658  0.00012586750507
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 0.20000000000000  1.22140275816017  -1.48282370288215    0.00829767747824  0.00829767747824   0.00830023064049  0.00830023064049   0.00549083596037 -0.01148926833509   0.00021131154394  0.00044326531763
 0.20500000000000  1.22752506496318  -1.48677180854363    0.00191949524314  0.00191949524314   0.00191964202367  0.00191964202367   0.00557714446660 -0.01166938609534   0.00028492392112  0.00059765954171
 0.21000000000000  1.23367805995674  -1.49076803949745   -0.00439853564191 -0.00439853564191  -0.00439787036096 -0.00439787036096   0.00566035279988 -0.01184294549608   0.00035664149364  0.00074806304948
 0.21500000000000  1.23986189696606  -1.49481120038726   -0.01064992764255 -0.01064992764255  -0.01064593077772 -0.01064593077772   0.00574031630283 -0.01200964156489   0.00042606406145  0.00089363476037
 0.22000000000000  1.24607673058738  -1.49890006890791   -0.01682809990844 -0.01682809990844  -0.01681807894751 -0.01681807894751   0.00581689001211 -0.01216916893450   0.00049279386140  0.00103353897702
 0.22500000000000  1.25232271619186  -1.50303326924037   -0.02292638513195 -0.02292638513195  -0.02290777673771 -0.02290777673771   0.00588992886947 -0.01232122230557   0.00055643731522  0.00116694909405
 0.23000000000000  1.25860000992948  -1.50720938108224   -0.02893803946941 -0.02893803946941  -0.02890841780630 -0.02890841780630   0.00595928799345 -0.01246549703741   0.00061660704047  0.00129305185860
 0.23500000000000  1.26490876873289  -1.51142679196721   -0.03485625104966 -0.03485625104966  -0.03481333586851 -0.03481333586851   0.00602482293582 -0.01260168970744   0.00067292383076  0.00141105156525
 0.24000000000000  1.27124915032140  -1.51568370684721   -0.04067415902048 -0.04067415902048  -0.04061582309812 -0.04061582309812   0.00608639011373 -0.01272949903768   0.00072501930802  0.00152017565780
 0.24500000000000  1.27762131320489  -1.51997826060717   -0.04638486460780 -0.04638486460780  -0.04630914078025 -0.04630914078025   0.00614384711148 -0.01284862654744   0.00077253806634  0.00161967926039
 0.25000000000000  1.28402541668774  -1.52430867423930   -0.05198144399942 -0.05198144399942  -0.05188653170943 -0.05188653170943   0.00619705302040 -0.01295877728585   0.00081513995502  0.00170884999753
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 0.26000000000000  1.29693008666577  -1.53306834408819   -0.06280448300422 -0.06280448300422  -0.06266648821212 -0.06266648821212   0.00629015761640 -0.01315099090988   0.00088432282743  0.00185353546740
 0.26500000000000  1.30343097577837  -1.53749329672472   -0.06801710661236 -0.06801710661236  -0.06785557830279 -0.06785557830279   0.00632978551634 -0.01323248904074   0.00091032163042  0.00190783398683
 0.27000000000000  1.30996445073325  -1.54194480242552   -0.07308796354159 -0.07308796354159  -0.07290182084436 -0.07290182084436   0.00636462156439 -0.01330388262444   0.00093024395968  0.00194937721624
 0.27500000000000  1.31653067486762  -1.54642058879883   -0.07801024109323 -0.07801024109323  -0.07779859282480 -0.07779859282480   0.00639453840426 -0.01336490724415   0.00094386239387  0.00197769202976
 0.28000000000000  1.32312981233744  -1.55091779324567   -0.08277720239211 -0.08277720239211  -0.08253934934355 -0.08253934934355   0.00641941273689 -0.01341530745799   0.00095097940119  0.00199236856417
 0.28500000000000  1.32976202812147  -1.55543309578705   -0.08738220770070 -0.08738220770070  -0.08711764394403 -0.08711764394403   0.00643912582396 -0.01345483786291   0.00095142969192  0.00199306513420
 0.29000000000000  1.33642748802547  -1.55996400949923   -0.09181873203219 -0.09181873203219  -0.09152714542130 -0.09152714542130   0.00645356396151 -0.01348326409810   0.00094508240317  0.00197951279173
 0.29500000000000  1.34312635868628  -1.56450702554663   -0.09608038466941 -0.09608038466941  -0.09576165645740 -0.09576165645740   0.00646261899463 -0.01350036393220   0.00093184328913  0.00195151988705
 0.30000000000000  1.34985880757600  -1.56905878185322   -0.10016093078871 -0.10016093078871  -0.09981513426196 -0.09981513426196   0.00646618886811 -0.01350592842265   0.00091165684369  0.00190897647651
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 0.31000000000000  1.36342511413218  -1.57817436710197   -0.10775468863477 -0.10775468863477  -0.10735572976662 -0.10735572976662   0.00645649879750 -0.01348168911558   0.00085042444335  0.00178022919420
 0.31500000000000  1.37025931095700  -1.58273042880791   -0.11125641692372 -0.11125641692372  -0.11083173161613 -0.11083173161613   0.00644307029818 -0.01345154445209   0.00080947698227  0.00169424654702
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 0.32500000000000  1.38403064598075  -1.59181886292337   -0.11764267533841 -0.11764267533841  -0.11716912604799 -0.11716912604799   0.00639868710663 -0.01335448683058   0.00070750267921  0.00148032430761
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 0.34000000000000  1.40494759056359  -1.60532589817418   -0.12560691963430 -0.12560691963430  -0.12506896887603 -0.12506896887603   0.00628750006163 -0.01311542773380   0.00050748750073  0.00106125831784
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 0.35500000000000  1.42618065428148  -1.61856541758125   -0.13153571697107 -0.13153571697107  -0.13094741000600 -0.13094741000600   0.00612208357168 -0.01276295676841   0.00025859427737  0.00054045355023
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 0.37000000000000  1.44773461466332  -1.63139110946273   -0.13534881736241 -0.13534881736241  -0.13472713886057 -0.13472713886057   0.00590256568541 -0.01229760542577  -0.00002722326010 -0.00005687088219
 0.37500000000000  1.45499141461820  -1.63554714888469   -0.13614105280652 -0.13614105280652  -0.13551237709867 -0.13551237709867   0.00581755302541 -0.01211783454780  -0.00012813747513 -0.00026759130845
 0.38000000000000  1.46228458943422  -1.63963334246844   -0.13669245671523 -0.13669245671523  -0.13605892398070 -0.13605892398070   0.00572673582733 -0.01192599646380  -0.00023083207625 -0.00048193423370
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 0.40000000000000  1.49182469764127  -1.65514184517647   -0.13649703965683 -0.13649703965683  -0.13586570249828 -0.13586570249828   0.00530754685243 -0.01104263654622  -0.00064563178915 -0.00134667325558
 0.40500000000000  1.49930250005677  -1.65877491214516   -0.13585481011111 -0.13585481011111  -0.13522934504625 -0.13522934504625   0.00518945342479 -0.01079427895407  -0.00074672025147 -0.00155714085468
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 0.44000000000000  1.55270721851134  -1.68062481287072   -0.12509159194840 -0.12509159194840  -0.12455950371330 -0.12455950371330   0.00423594167062 -0.00879480222700  -0.00134293407582 -0.00279529370185
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Pseudo.Potentials>


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