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

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

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

 <<< Atom >>>
 AtomSpecies                 47
 max.ocupied.N               5
 total.electron              47.0000
 valence.electron            17.0000

 <ocupied.electrons
 1  2.0000 
 2  2.0000  6.0000 
 3  2.0000  6.0000  10.0000 
 4  2.0000  6.0000  10.0000  0.0000 
 5  1.0000  0.0000  0.0000  0.0000  0.0000 
 ocupied.electrons>

 <<< parameters for solving 1D-differential equations >>>
 grid.xmin                   -8.000
 grid.xmax                    3.800
 grid.num                    11000
 grid.num.output             2000

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

 <<< Pseudo potential >>>
 vps.type                    TM
 number.vps                  4
 <pseudo.NandL
  0    4   1   1.2000
  1    4   2   1.1000
  2    4   3   1.3000
  3    5   0   2.0000
 pseudo.NandL>
 Blochl.projector.num        3
 local.type                  Polynomial
 local.part.vps              4
 local.cutoff                1.30000
 local.origin.ratio          3.20000
 log.deri.RadF.calc          ON
 log.deri.MinE               -3.00000
 log.deri.MaxE               2.50000
 log.deri.num                50
 <log.deri.R
  0   3.4000  3.4000
  1   2.6000  2.6000
  2   2.6000  2.6000
  3   2.6000  2.6000
 log.deri.R>
 ghost.check                 OFF

charge.states.num            1
<charge.states
   0.000
charge.states>

 <<< Core electron density for partial core correction >>>
 charge.pcc.calc             ON
 pcc.ratio                   0.01000
 pcc.ratio.origin            6.00000

 <<< Pseudo atomic orbitals >>>
 maxL.pao                    3
 num.pao                     5
 radial.cutoff.pao           5.00000
 height.of.wall              20000.00000
 rising.edge                 0.20000
 search.LowerE               -3.00000
 search.UpperE               30.00000
 num.of.partition            1200
 matching.point.ratio        0.67000

***************************************************
    SCF history in all electrons calculations      
***************************************************

 SCF=   1  Eeigen=-4462.4496435933361 (Hartree)  NormRD=21702.4332453863353
 SCF=   2  Eeigen=-3707.3777650083189 (Hartree)  NormRD=20470.9953466911866
 SCF=   3  Eeigen=-3601.1457707617574 (Hartree)  NormRD=20789.0915096794779
 SCF=   4  Eeigen=-3597.0589058800106 (Hartree)  NormRD=20395.5650571657752
 SCF=   5  Eeigen=-3642.0095010192572 (Hartree)  NormRD=6894.5845760870816
 SCF=   6  Eeigen=-3326.3580406797441 (Hartree)  NormRD=2064.7770456909866
 SCF=   7  Eeigen=-3217.6561814310776 (Hartree)  NormRD=699.8287725981809
 SCF=   8  Eeigen=-3180.2421666521091 (Hartree)  NormRD=237.4928467243940
 SCF=   9  Eeigen=-3167.8870579425902 (Hartree)  NormRD= 80.8343482291117
 SCF=  10  Eeigen=-3162.0383330261111 (Hartree)  NormRD= 27.6806484751478
 SCF=  11  Eeigen=-3158.4113999865367 (Hartree)  NormRD=  9.5372625477552
 SCF=  12  Eeigen=-3156.1614524196907 (Hartree)  NormRD=  3.3017316578969
 SCF=  13  Eeigen=-3154.7887976847596 (Hartree)  NormRD=  1.1472084207141
 SCF=  14  Eeigen=-3153.9648897840161 (Hartree)  NormRD=  0.3997517856368
 SCF=  15  Eeigen=-3153.4768032834932 (Hartree)  NormRD=  0.1395995962269
 SCF=  16  Eeigen=-3153.1905195859181 (Hartree)  NormRD=  0.0488408421225
 SCF=  17  Eeigen=-3153.0233320332177 (Hartree)  NormRD=  0.0171132686578
 SCF=  18  Eeigen=-3152.9263320055816 (Hartree)  NormRD=  0.0060072190130
 SCF=  19  Eeigen=-3152.8701678792777 (Hartree)  NormRD=  0.0021097127633
 SCF=  20  Eeigen=-3152.8375919076452 (Hartree)  NormRD=  0.0007415914092
 SCF=  21  Eeigen=-3152.8187084620904 (Hartree)  NormRD=  0.0002608767350
 SCF=  22  Eeigen=-3152.8077561303871 (Hartree)  NormRD=  0.0000918294300
 SCF=  23  Eeigen=-3152.8014009384992 (Hartree)  NormRD=  0.0000323413540
 SCF=  24  Eeigen=-3152.7977110262623 (Hartree)  NormRD=  0.0000113952615
 SCF=  25  Eeigen=-3152.7955674420223 (Hartree)  NormRD=  0.0000040164792
 SCF=  26  Eeigen=-3152.7943216790877 (Hartree)  NormRD=  0.0000014160935
 SCF=  27  Eeigen=-3152.7935975014007 (Hartree)  NormRD=  0.0000004993876
 SCF=  28  Eeigen=-3152.7931763868914 (Hartree)  NormRD=  0.0000001763505
 SCF=  29  Eeigen=-3152.7930231203450 (Hartree)  NormRD=  0.0000000622384
 SCF=  30  Eeigen=-3152.7928547020119 (Hartree)  NormRD=  0.0000000219516
 SCF=  31  Eeigen=-3152.7927746479172 (Hartree)  NormRD=  0.0000000077453
 SCF=  32  Eeigen=-3152.7927244776538 (Hartree)  NormRD=  0.0000000027319
 SCF=  33  Eeigen=-3152.7926048035151 (Hartree)  NormRD=  0.0000000009550
 SCF=  34  Eeigen=-3152.7926144711173 (Hartree)  NormRD=  0.0000000003376
 SCF=  35  Eeigen=-3152.7926029479527 (Hartree)  NormRD=  0.0000000001265
 SCF=  36  Eeigen=-3152.7926017602481 (Hartree)  NormRD=  0.0000000000955
 SCF=  37  Eeigen=-3152.7926016074471 (Hartree)  NormRD=  0.0000000000924
 SCF=  38  Eeigen=-3152.7926016038391 (Hartree)  NormRD=  0.0000000000921
 SCF=  39  Eeigen=-3152.7926015927355 (Hartree)  NormRD=  0.0000000000919
 SCF=  40  Eeigen=-3152.7926015856474 (Hartree)  NormRD=  0.0000000000917
 SCF=  41  Eeigen=-3152.7926015797179 (Hartree)  NormRD=  0.0000000000915
 SCF=  42  Eeigen=-3152.7926015716371 (Hartree)  NormRD=  0.0000000000914
 SCF=  43  Eeigen=-3152.7926015627427 (Hartree)  NormRD=  0.0000000000912
 SCF=  44  Eeigen=-3152.7926015529579 (Hartree)  NormRD=  0.0000000000910
 SCF=  45  Eeigen=-3152.7926015526250 (Hartree)  NormRD=  0.0000000000000

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

                         j=l+1/2                j=l-1/2
 n=  1  l=  0      -914.0694142239506     -914.0694142239506
 n=  2  l=  0      -134.5308227122846     -134.5308227122846
 n=  2  l=  1      -118.1891040101877     -124.3066330511800
 n=  3  l=  0       -24.6099154702372      -24.6099154702372
 n=  3  l=  1       -19.8129392958430      -20.9605259398514
 n=  3  l=  2       -13.2644590456359      -13.4937879203072
 n=  4  l=  0        -3.4046380940954       -3.4046380940954
 n=  4  l=  1        -2.0530438672076       -2.2449726516847
 n=  4  l=  2        -0.2796514262466       -0.3000280556366
 n=  5  l=  0        -0.1717318644949       -0.1717318644949


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

 Eeigen =    -3152.7926015526250
 Ekin   =     5502.8658081296589
 EHart  =     2168.9088156456301
 Exc    =     -113.1224975253625
 Eec    =   -12849.3125926190150
 Etot   = Ekin + EHart + Exc + Eec
 Etot   =    -5290.6604663690887


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

j.dependent.pseudo.potentials   on

<VPS> L=0, dif of log deris for all electrons =  377.3220153105  377.3220153105
<VPS> L=0, dif of log deris for semi local    =  319.9230270348  319.9230270348
<VPS> L=1, dif of log deris for all electrons =  241.5423242634  122.5400455190
<VPS> L=1, dif of log deris for semi local    = 11526582.5070574023 6352.1844855059
<VPS> L=2, dif of log deris for all electrons =    0.1780943278    0.0531977983
<VPS> L=2, dif of log deris for semi local    =    0.0147287065    0.0228193648
<VPS> L=3, dif of log deris for all electrons =    1.7350892917    1.9153757352
<VPS> L=3, dif of log deris for semi local    =    0.3420568888    0.3738687856

<project.energies
12
 0    4.04523666126305e+00   4.04523666126305e+00
 0    4.28253790853222e+00   4.28253790853222e+00
 0    7.53056845012042e+00   7.53056845012042e+00
 1    3.13674003371572e-01   2.95916372531108e-01
 1    8.23028753124356e-01   7.81392405365790e-01
 1    1.52972373427261e+00   1.45515736475062e+00
 2    8.17835146348586e-01   7.94823955102102e-01
 2    2.78869007794651e+00   2.69633618964121e+00
 2    6.22127511582164e+00   6.01715272561068e+00
 3    2.33460771924168e+00   2.34125460283884e+00
 3    1.09168834316031e+01   1.10742307912728e+01
 3    7.82856471844911e+01   8.27179050243752e+01
project.energies>

<Pseudo.Potentials
-8.00000000000000e+00 3.35462627902512e-04  -4.18238824518892e+01   3.55687202068210e+00 3.55687202068210e+00  9.01982202877700e+00 9.01982202877700e+00  8.72413163608841e+00 8.72413163608841e+00  2.06639503793982e-02 2.22086664045099e-02  2.59257999822665e-02 2.72496664304011e-02  2.87234715412715e-02 2.99712297441921e-02  7.63994031571891e-06 7.80077636987282e-06  9.08925533732430e-06 9.30754786185339e-06  1.04311117783040e-05 1.06879806548479e-05  7.10241907085578e-10 6.99762376025754e-10  6.46503476960320e-10 6.19979292056122e-10  6.58432182853439e-10 6.15876032549384e-10
-7.99409754877439e+00 3.37448534795440e-04  -4.18238824518892e+01   3.55687202042837e+00 3.55687202042837e+00  9.01982202343756e+00 9.01982202343756e+00  8.72413161890191e+00 8.72413161890191e+00  2.07862789813276e-02 2.23401395720037e-02  2.60792782056925e-02 2.74109818072471e-02  2.88935116662767e-02 3.01486564638909e-02  7.73066347396456e-06 7.89340943211648e-06  9.19718888160620e-06 9.41807359656351e-06  1.05549796406486e-05 1.08148987949515e-05  7.22930413872624e-10 7.12263665402075e-10  6.58053285594073e-10 6.31055244810289e-10  6.70195087543461e-10 6.26878669955702e-10
-7.98819509754877e+00 3.39446198068541e-04  -4.18238824518892e+01   3.55687202017415e+00 3.55687202017415e+00  9.01982201805003e+00 9.01982201805003e+00  8.72413160154900e+00 8.72413160154900e+00  2.09093317565942e-02 2.24723910476789e-02  2.62336650047979e-02 2.75732521548016e-02  2.90645584110716e-02 3.03271335310605e-02  7.82246395594174e-06 7.98714249790486e-06  9.30640412001353e-06 9.52991180724604e-06  1.06803184141078e-05 1.09433240677093e-05  7.35845601396773e-10 7.24988290866171e-10  6.69809431849205e-10 6.42329069729365e-10  6.82168136520993e-10 6.38077869453231e-10
-7.98229264632316e+00 3.41455687318469e-04  -4.18238824518892e+01   3.55687201991943e+00 3.55687201991943e+00  9.01982201261393e+00 9.01982201261393e+00  8.72413158402793e+00 8.72413158402793e+00  2.10331129922290e-02 2.26054254390376e-02  2.63889657582507e-02 2.77364831263835e-02  2.92366177347234e-02 3.05066671636273e-02  7.91535455469868e-06 8.08198862960523e-06  9.41691627245324e-06 9.64307807933697e-06  1.08071455654964e-05 1.10732743700600e-05  7.48991519302031e-10 7.37940242309938e-10  6.81775601934317e-10 6.53804301786844e-10  6.94355083991992e-10 6.49477142602783e-10
-7.97639019509755e+00 3.43477072553882e-04  -4.18238824518892e+01   3.55687201966424e+00 3.55687201966424e+00  9.01982200712877e+00 9.01982200712877e+00  8.72413156633695e+00 8.72413156633695e+00  2.11576270006417e-02 2.27392473808578e-02  2.65451858765594e-02 2.79006804087784e-02  2.94096956315755e-02 3.06872636163264e-02  8.00934821519886e-06 8.17796104469818e-06  9.52874073956580e-06 9.75758818334644e-06  1.09354787690440e-05 1.12047678114650e-05  7.62372289620024e-10 7.51123580944824e-10  6.93955547949035e-10 6.65484539143905e-10  7.06759751268661e-10 6.61080063734133e-10
-7.97048774387194e+00 3.45510424197887e-04  -4.18238824518892e+01   3.55687201940857e+00 3.55687201940857e+00  9.01982200159406e+00 9.01982200159406e+00  8.72413154847422e+00 8.72413154847422e+00  2.12828781197711e-02 2.28738615353548e-02  2.67023308022624e-02 2.80658497224371e-02  2.95837981314567e-02 3.08689291809198e-02  8.10445803612494e-06 8.27507311761962e-06  9.64189310487147e-06 9.87345807705649e-06  1.10653359088582e-05 1.13378227164318e-05  7.75992107961547e-10 7.64542440475784e-10  7.06353088968570e-10 6.77373444189480e-10  7.19386027873958e-10 6.72890270979131e-10
-7.96458529264632e+00 3.47555813090484e-04  -4.18238824518892e+01   3.55687201915244e+00 3.55687201915244e+00  9.01982199600930e+00 9.01982199600930e+00  8.72413153043796e+00 8.72413153043796e+00  2.14088707132359e-02 2.30092725923435e-02  2.68604060101168e-02 2.82319968216743e-02  2.97589312998916e-02 3.10516701864155e-02  8.20069727170419e-06 8.37333838162454e-06  9.75638913694195e-06 9.99070390774488e-06  1.11967350814170e-05 1.14724576270678e-05  7.89855244973996e-10 7.78201028537219e-10  7.18972112370410e-10 6.89474744812512e-10  7.32237872892826e-10 6.84911467535603e-10
-7.95868284142071e+00 3.49613310491041e-04  -4.18238824518892e+01   3.55687201889587e+00 3.55687201889587e+00  9.01982199037399e+00 9.01982199037399e+00  8.72413151222631e+00 8.72413151222631e+00  2.15356091704868e-02 2.31454852694019e-02  2.70194170072896e-02 2.83991274948697e-02  2.99351012383116e-02 3.12354929992882e-02  8.29807933355547e-06 8.47277053067295e-06  9.87224479159776e-06 1.01093420144352e-05  1.13296945980900e-05 1.16086913056640e-05  8.03966047496523e-10 7.92103627831080e-10  7.31816574885733e-10 7.01792235410230e-10  7.45319316042906e-10 6.97147422668858e-10
-7.95278039019510e+00 3.51682988080777e-04  -4.18238824518892e+01   3.55687201863884e+00 3.55687201863884e+00  9.01982198468761e+00 9.01982198468761e+00  8.72413149383742e+00 8.72413149383742e+00  2.16630979069599e-02 2.32825043120357e-02  2.71793693335496e-02 2.85672475646690e-02  3.01123140842673e-02 3.14204040237009e-02  8.39661779255836e-06 8.57338342133832e-06  9.98947621413189e-06 1.02293889301742e-05  1.14642329876908e-05 1.17465427373100e-05  8.18328940150179e-10 8.06254597693553e-10  7.44890504046871e-10 7.14329778276244e-10  7.58634459148753e-10 7.09601973090642e-10
-7.94687793896949e+00 3.53764917965253e-04  -4.18238824518892e+01   3.55687201838139e+00 3.55687201838139e+00  9.01982197894965e+00 9.01982197894965e+00  8.72413147526941e+00 8.72413147526941e+00  2.17913413642297e-02 2.34203344938431e-02  2.73402685614600e-02 2.87363628881874e-02  3.02905760116427e-02 3.16064097017281e-02  8.49632638074420e-06 8.67519107473843e-06  1.01080997415597e-05 1.03508613843350e-05  1.16003689990591e-05 1.18860311325393e-05  8.32948426453721e-10 8.20658375194392e-10  7.58197999202975e-10 7.27091304574485e-10  7.72187477176213e-10 7.22279023926558e-10
-7.94097548774387e+00 3.55859172676891e-04  -4.18238824518892e+01   3.55687201812351e+00 3.55687201812351e+00  9.01982197315960e+00 9.01982197315960e+00  8.72413145652038e+00 8.72413145652038e+00  2.19203440101645e-02 2.35589806166816e-02  2.75021202965730e-02 2.89064793572133e-02  3.04698932308701e-02 3.17935165135802e-02  8.59721899320986e-06 8.77820767848945e-06  1.02281319048954e-05 1.04737763049493e-05  1.17381216036729e-05 1.20271759300066e-05  8.47829090552884e-10 8.35319476840699e-10  7.71743233094048e-10 7.40080815848756e-10  7.85982619835438e-10 7.35182550215674e-10
-7.93507303651826e+00 3.57965825177497e-04  -4.18238824518892e+01   3.55687201786523e+00 3.55687201786523e+00  9.01982196731694e+00 9.01982196731694e+00  8.72413143758845e+00 8.72413143758845e+00  2.20501103390819e-02 2.36984475108349e-02  2.76649301776247e-02 2.90776028984134e-02  3.06502719891465e-02 3.19817309778291e-02  8.69930969005397e-06 8.88244758868295e-06  1.03495894314561e-05 1.05981508210660e-05  1.18775099982929e-05 1.21699967991967e-05  8.62975598293774e-10 8.50242499634449e-10  7.85530452828034e-10 7.53302384959638e-10  8.00024212576033e-10 7.48316597841148e-10
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3.73997548774387e+00 4.20969582609267e+01  -4.03829651865389e-01   5.17452078181661e-16 5.17452078181661e-16  -5.25869678911630e-16 -5.25869678911630e-16  5.32966752911901e-16 5.32966752911901e-16  5.71386845145088e-41 1.54073648449933e-42  -6.79090089351425e-41 -1.86394929645437e-42  7.35338927555430e-41 2.03433371942348e-42  1.31657959389847e-19 4.60893408727987e-20  -1.47915306743072e-19 -5.20621362650367e-20  1.54178870371489e-19 5.43754339709007e-20  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.74587793896948e+00 4.23461682552095e+01  -4.01453087752240e-01   4.43100242738430e-16 4.43100242738430e-16  -4.50308367805206e-16 -4.50308367805206e-16  4.56385736229078e-16 4.56385736229078e-16  3.50788291014207e-41 9.26638351764887e-43  -4.16909957399953e-41 -1.12102687284582e-42  4.51442532702849e-41 1.22350054956355e-42  1.08455323518717e-19 3.77266170757945e-20  -1.21847582872045e-19 -4.26156774837117e-20  1.27007314195085e-19 4.45092444597642e-20  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.75178039019510e+00 4.25968535489871e+01  -3.99090509807225e-01   3.79114081783710e-16 3.79114081783710e-16  -3.85281343345502e-16 -3.85281343345502e-16  3.90481157794716e-16 3.90481157794716e-16  2.14780416214982e-41 5.55748812854124e-43  -2.55265359387887e-41 -6.72332834238996e-43  2.76408968198992e-41 7.33791215245309e-43  8.92485299137032e-20 3.08479054781773e-20  -1.00269110066359e-19 -3.48455448850258e-20  1.04515101497719e-19 3.63938632136692e-20  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
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3.76358529264632e+00 4.31026850212599e+01  -3.94406983941080e-01   2.76824207361867e-16 2.76824207361867e-16  -2.81327505827923e-16 -2.81327505827923e-16  2.85124418643874e-16 2.85124418643874e-16  7.98724314302202e-42 1.98232560663925e-43  -9.49279619177443e-42 -2.39817470341997e-43  1.02790856331059e-41 2.61739390982678e-43  6.02472065885548e-20 2.05574047089766e-20  -6.76866614471366e-20 -2.32214831516089e-20  7.05529412440751e-20 2.42533089000548e-20  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.76948774387194e+00 4.33578488224340e+01  -3.92085872853681e-01   2.36245893698495e-16 2.36245893698495e-16  -2.40089094038352e-16 -2.40089094038352e-16  2.43329467787684e-16 2.43329467787684e-16  4.85107037662694e-42 1.17893761781961e-43  -5.76547177778869e-42 -1.42625334666546e-43  6.24302706808713e-42 1.55662853546104e-43  4.94221178381496e-20 1.67545005933108e-20  -5.55248730673900e-20 -1.89257544328228e-20  5.78761555897286e-20 1.97667066076492e-20  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.77539019509755e+00 4.36145231690739e+01  -3.89778421583244e-01   2.01441170621848e-16 2.01441170621848e-16  -2.04718190446640e-16 -2.04718190446640e-16  2.07481205968970e-16 2.07481205968970e-16  2.93823329246179e-42 6.99141733463135e-44  -3.49207509537973e-42 -8.45806663317742e-44  3.78132478670697e-42 9.23122749851305e-44  4.04995577793701e-20 1.36402531821684e-20  -4.55005396535221e-20 -1.54079261934595e-20  4.74273347432386e-20 1.60925688710952e-20  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.78129264632316e+00 4.38727170034656e+01  -3.87484549892247e-01   1.71613851660212e-16 1.71613851660212e-16  -1.74405657652770e-16 -1.74405657652770e-16  1.76759577405196e-16 1.76759577405196e-16  1.77480435342497e-42 4.13434977455303e-44  -2.10934592350555e-42 -5.00164789826246e-44  2.28406392542540e-42 5.45885436148013e-44  3.31533434298859e-20 1.10928886122640e-20  -3.72472010012382e-20 -1.25304438354747e-20  3.88245011984873e-20 1.30872293183948e-20  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.78719509754877e+00 4.41324393208320e+01  -3.85204177709575e-01   1.46073669712841e-16 1.46073669712841e-16  -1.48450000466894e-16 -1.48450000466894e-16  1.50453620918501e-16 1.50453620918501e-16  1.06910315580857e-42 2.43783715362478e-44  -1.27062371731740e-42 -2.94924339087067e-44  1.37587013385880e-42 3.21883746523572e-44  2.71117743616931e-20 9.01163102339581e-21  -3.04596069544945e-20 -1.01794718917429e-20  3.17494792997413e-20 1.06317945649190e-20  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.79309754877439e+00 4.43936991696472e+01  -3.82937225747041e-01   1.24181206823286e-16 1.24181206823286e-16  -1.26201399837332e-16 -1.26201399837332e-16  1.27904748559458e-16 1.27904748559458e-16  6.43165197509156e-43 1.43560968140824e-44  -7.64398639608852e-43 -1.73677006711066e-44  8.27714246857566e-43 1.89553059409448e-44  2.21407096286691e-20 7.31049763237690e-21  -2.48747046581201e-20 -8.25788499922318e-21  2.59280774125340e-20 8.62482376187608e-21  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.79900000000000e+00 4.46565056519514e+01  -3.80683614859566e-01   1.06351592599616e-16 1.06351592599616e-16  -1.08081739642095e-16 -1.08081739642095e-16  1.09540539938201e-16 1.09540539938201e-16  4.73475858051612e-43 1.04284874201730e-44  -5.62723733276117e-43 -1.26161630267380e-44  6.09334539053177e-43 1.37694250061735e-44  1.82464514409510e-20 5.98570051103968e-21  -2.04995749054103e-20 -6.76140447431741e-21  2.13676768013699e-20 7.06184832523025e-21  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
Pseudo.Potentials>


***********************************************************
**            Core electron densities for PCC            **
***********************************************************
<density.PCC
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3.77539019509755e+00 4.36145231690739e+01  1.57547327439592e-30
3.78129264632316e+00 4.38727170034656e+01  1.15681536480334e-30
3.78719509754877e+00 4.41324393208320e+01  8.47983813011697e-31
3.79309754877439e+00 4.43936991696472e+01  6.20170817617428e-31
3.79900000000000e+00 4.46565056519514e+01  4.59868863865055e-31
density.PCC>