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

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

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

 <<< Atom >>>
 AtomSpecies                 14
 max.ocupied.N               3
 total.electron              14.0000
 valence.electron            4.0000

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

 <<< parameters for solving 1D-differential equations >>>
 grid.xmin                   -7.000
 grid.xmax                    3.100
 grid.num                    10000
 grid.num.output             2000

 <<< SCF >>>
 scf.maxIter                 35
 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               0.00000000000010

 <<< Pseudo potential >>>
 vps.type                    TM
 number.vps                  3
 <pseudo.NandL
  0    3   0   1.6000
  1    3   1   1.6000
  2    3   2   1.3000
 pseudo.NandL>
 Blochl.projector.num        2
 local.type                  Polynomial
 local.part.vps              3
 local.cutoff                1.50000
 local.origin.ratio          4.80000
 log.deri.RadF.calc          ON
 log.deri.MinE               -2.00000
 log.deri.MaxE               2.00000
 log.deri.num                50
 <log.deri.R
  0   2.2000  2.2000
  1   2.2000  2.2000
  2   2.5000  2.5000
 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                   0.02000
 pcc.ratio.origin            8.00000

 <<< 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       -63.3709039573604      -63.3709039573604
 n=  2  l=  0        -4.9988338450185       -4.9988338450185
 n=  2  l=  1        -3.5579813249597       -3.5817257145931
 n=  3  l=  0        -0.3997001756158       -0.3997001756158
 n=  3  l=  1        -0.1628443898392       -0.1640428230589


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

 Eeigen =     -159.2848842875457
 Ekin   =      283.4295451201776
 EHart  =      132.1263843755148
 Exc    =      -17.4318956256079
 Eec    =     -684.9682531348814
 Etot   = Ekin + EHart + Exc + Eec
 Etot   =     -286.8442192647968


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

j.dependent.pseudo.potentials   on

<VPS> L=0, dif of log deris for all electrons = 2142.0595627197 2142.0595627197
<VPS> L=0, dif of log deris for semi local    =  230.3518043675  230.3518043675
<VPS> L=1, dif of log deris for all electrons = 1537.4061232674 2813.4843979463
<VPS> L=1, dif of log deris for semi local    =  558.1710290208 1594.1474098716
<VPS> L=2, dif of log deris for all electrons = 1417.6815857180 1678.0480171859
<VPS> L=2, dif of log deris for semi local    = 1406.2158381710 1648.9937580209

<project.energies
 6
 0    2.32375915015132e+00   2.32375915015132e+00
 0    5.12505425636060e+00   5.12505425636060e+00
 1    5.08994477179568e+00   5.05991907039902e+00
 1    1.24944083522325e+01   1.22773662918361e+01
 2    1.55840593057196e+00   1.55974856231045e+00
 2    3.22553031193819e+00   3.22707887577934e+00
project.energies>

<Pseudo.Potentials
-7.00000000000000e+00 9.11881965554516e-04  -1.28053080194224e+01   3.01299156909990e+00 3.01299156909990e+00  3.95570113079019e+00 3.95570113079019e+00  3.46776937515708e-03 3.49186812614754e-03  4.88711276506565e-03 4.96061178307833e-03  8.20199724465482e-07 7.99929306838542e-07  -1.10910276717266e-06 -1.09145612308664e-06
-6.99494797398699e+00 9.16500473553401e-04  -1.28053080194224e+01   3.01299159624821e+00 3.01299159624821e+00  3.95570118606284e+00 3.95570118606284e+00  3.48533296406942e-03 3.50955377088053e-03  4.91186509468293e-03 4.98573637166771e-03  8.28529184180433e-07 8.08052915322345e-07  -1.12036609651465e-06 -1.10254024911641e-06
-6.98989594797399e+00 9.21142373413228e-04  -1.28053080194224e+01   3.01299162367642e+00 3.01299162367642e+00  3.95570124191224e+00 3.95570124191224e+00  3.50298550920270e-03 3.52732899002769e-03  4.93674279071512e-03 5.01098821210012e-03  8.36943234113154e-07 8.16259023555986e-07  -1.13174380992063e-06 -1.11373693941744e-06
-6.98484392196098e+00 9.25807783609309e-04  -1.28053080194224e+01   3.01299165138741e+00 3.01299165138741e+00  3.95570129834431e+00 3.95570129834431e+00  3.52072746110325e-03 3.54519423726642e-03  4.96174648812848e-03 5.03636794889128e-03  8.45442733348030e-07 8.24548469394731e-07  -1.14323706903143e-06 -1.12504733715143e-06
-6.97979189594797e+00 9.30496823217005e-04  -1.28053080194224e+01   3.01299167938405e+00 3.01299167938405e+00  3.95570135536502e+00 3.95570135536502e+00  3.53855927259928e-03 3.56314996857190e-03  4.98687682510540e-03 5.06187622982139e-03  8.54028549694667e-07 8.32922099203483e-07  -1.15484704728545e-06 -1.13647259709003e-06
-6.97473986993497e+00 9.35209611914773e-04  -1.28053080194224e+01   3.01299170766926e+00 3.01299170766926e+00  3.95570141298040e+00 3.95570141298040e+00  3.55648139881252e-03 3.58119664222873e-03  5.01213444306070e-03 5.08751370595170e-03  8.62701559776528e-07 8.41380767943212e-07  -1.16657493003854e-06 -1.14801388573277e-06
-6.96968784392196e+00 9.39946269987219e-04  -1.28053080194224e+01   3.01299173624599e+00 3.01299173624599e+00  3.95570147119655e+00 3.95570147119655e+00  3.57449429716979e-03 3.59933471884265e-03  5.03751998665797e-03 5.11328103164109e-03  8.71462649120446e-07 8.49925339258288e-07  -1.17842191468501e-06 -1.15967238142619e-06
-6.96463581790895e+00 9.44706918328167e-04  -1.28053080194224e+01   3.01299176511721e+00 3.01299176511721e+00  3.95570153001964e+00 3.95570153001964e+00  3.59259842741472e-03 3.61756466135228e-03  5.06303410382609e-03 5.13917886456282e-03  8.80312712247096e-07 8.58556685564699e-07  -1.19038921077990e-06 -1.17144927448419e-06
-6.95958379189595e+00 9.49491678443744e-04  -1.28053080194224e+01   3.01299179428594e+00 3.01299179428594e+00  3.95570158945588e+00 3.95570158945588e+00  3.61079425161941e-03 3.63588693504094e-03  5.08867744577569e-03 5.16520786572130e-03  8.89252652762287e-07 8.67275688139098e-07  -1.20247804016251e-06 -1.18334576730950e-06
-6.95453176588294e+00 9.54300672455485e-04  -1.28053080194224e+01   3.01299182375520e+00 3.01299182375520e+00  3.95570164951156e+00 3.95570164951156e+00  3.62908223419631e-03 3.65430200754851e-03  5.11445066701583e-03 5.19136869946894e-03  8.98283383449338e-07 8.76083237208866e-07  -1.21468963708116e-06 -1.19536307451657e-06
-6.94947973986994e+00 9.59134023103445e-04  -1.28053080194224e+01   3.01299185352807e+00 3.01299185352807e+00  3.95570171019303e+00 3.95570171019303e+00  3.64746284191001e-03 3.67281034888340e-03  5.14035442537070e-03 5.21766203352312e-03  9.07405826362183e-07 8.84980232042988e-07  -1.22702524831919e-06 -1.20750242305550e-06
-6.94442771385693e+00 9.63991853749335e-04  -1.28053080194224e+01   3.01299188360765e+00 3.01299188360765e+00  3.95570177150671e+00 3.95570177150671e+00  3.66593654388918e-03 3.69141243143450e-03  5.16638938199639e-03 5.24408853898329e-03  9.16620912919668e-07 8.93967581043935e-07  -1.23948613332238e-06 -1.21976505233741e-06
-6.93937568784392e+00 9.68874288379669e-04  -1.28053080194224e+01   3.01299191399706e+00 3.01299191399706e+00  3.95570183345907e+00 3.95570183345907e+00  3.68450381163852e-03 3.71010872998329e-03  5.19255620139779e-03 5.27064889034799e-03  9.25929584000546e-07 9.03046201840366e-07  -1.25207356432741e-06 -1.23215221436096e-06
-6.93432366183092e+00 9.73781451608929e-04  -1.28053080194224e+01   3.01299194469948e+00 3.01299194469948e+00  3.95570189605667e+00 3.95570189605667e+00  3.70316511905085e-03 3.72889972171590e-03  5.21885555144555e-03 5.29734376553220e-03  9.35332790039704e-07 9.12217021380953e-07  -1.26478882649191e-06 -1.24466517384022e-06
-6.92927163581791e+00 9.78713468682746e-04  -1.28053080194224e+01   3.01299197571808e+00 3.01299197571808e+00  3.95570195930611e+00 3.95570195930611e+00  3.72192094241914e-03 3.74778588623535e-03  5.24528810339311e-03 5.32417384588453e-03  9.44831491125110e-07 9.21480976028974e-07  -1.27763321802560e-06 -1.25730520833381e-06
-6.92421960980490e+00 9.83670465481096e-04  -1.28053080194224e+01   3.01299200705612e+00 3.01299200705612e+00  3.95570202321408e+00 3.95570202321408e+00  3.74077176044871e-03 3.76676770557374e-03  5.27185453189388e-03 5.35113981620470e-03  9.54426657095956e-07 9.30839011657989e-07  -1.29060805032295e-06 -1.27007360837539e-06
-6.91916758379190e+00 9.88652568521514e-04  -1.28053080194224e+01   3.01299203871684e+00 3.01299203871684e+00  3.95570208778733e+00 3.95570208778733e+00  3.75971805426941e-03 3.78584566420457e-03  5.29855551501842e-03 5.37824236476097e-03  9.64119267641673e-07 9.40292083748416e-07  -1.30371464809700e-06 -1.28297167760540e-06
-6.91411555777889e+00 9.93659904962318e-04  -1.28053080194224e+01   3.01299207070353e+00 3.01299207070353e+00  3.95570215303266e+00 3.95570215303266e+00  3.77876030744795e-03 3.80502024905512e-03  5.32539173427175e-03 5.40548218330772e-03  9.73910312401990e-07 9.49841157485119e-07  -1.31695434951471e-06 -1.29600073290422e-06
-6.90906353176588e+00 9.98692602605865e-04  -1.28053080194224e+01   3.01299210301953e+00 3.01299210301953e+00  3.95570221895698e+00 3.95570221895698e+00  3.79789900600019e-03 3.82429194951887e-03  5.35236387461079e-03 5.43285996710313e-03  9.83800791067991e-07 9.59487207856005e-07  -1.33032850633355e-06 -1.30916210452663e-06
-6.90401150575288e+00 1.00375078990180e-03  -1.28053080194224e+01   3.01299213566820e+00 3.01299213566820e+00  3.95570228556724e+00 3.95570228556724e+00  3.81713463840359e-03 3.84366125746796e-03  5.37947262446179e-03 5.46037641492691e-03  9.93791713484280e-07 9.69231219751596e-07  -1.34383848403960e-06 -1.32245713623765e-06
-6.89895947973987e+00 1.00883459595035e-03  -1.28053080194224e+01   3.01299216865292e+00 3.01299216865292e+00  3.95570235287047e+00 3.95570235287047e+00  3.83646769560964e-03 3.86312866726582e-03  5.40671867573797e-03 5.48803222909814e-03  1.00388409975203e-06 9.79074188065620e-07  -1.35748566198694e-06 -1.33588718544982e-06
-6.89390745372686e+00 1.01394415050560e-03  -1.28053080194224e+01   3.01299220197715e+00 3.01299220197715e+00  3.95570242087377e+00 3.95570242087377e+00  3.85589867105642e-03 3.88269467577968e-03  5.43410272385711e-03 5.51582811549319e-03  1.01407898033326e-06 9.89017117796630e-07  -1.37127143353855e-06 -1.34945362336173e-06
-6.88885542771386e+00 1.01907958397881e-03  -1.28053080194224e+01   3.01299223564433e+00 3.01299223564433e+00  3.95570248958431e+00 3.95570248958431e+00  3.87542806068118e-03 3.90235978239336e-03  5.46162546775935e-03 5.54376478356380e-03  1.02437739615599e-06 9.99061024150615e-07  -1.38519720620854e-06 -1.36315783509809e-06
-6.88380340170085e+00 1.02424102744178e-03  -1.28053080194224e+01   3.01299226965796e+00 3.01299226965796e+00  3.95570255900934e+00 3.95570255900934e+00  3.89505636293299e-03 3.92212448901994e-03  5.48928760992504e-03 5.57184294635508e-03  1.03478039872065e-06 1.00920693264474e-06  -1.39926440180593e-06 -1.37700121985120e-06
-6.87875137568784e+00 1.02942861263012e-03  -1.28053080194224e+01   3.01299230402159e+00 3.01299230402159e+00  3.95570262915618e+00 3.95570262915618e+00  3.91478407878547e-03 3.94198930011461e-03  5.51708985639263e-03 5.60006332052382e-03  1.04528905020740e-06 1.01945587921208e-06  -1.41347445657985e-06 -1.39098519102381e-06
-6.87369934967484e+00 1.03464247194668e-03  -1.28053080194224e+01   3.01299233873879e+00 3.01299233873879e+00  3.95570270003223e+00 3.95570270003223e+00  3.93461171174959e-03 3.96195472268752e-03  5.54503291677674e-03 5.62842662635673e-03  1.05590442358465e-06 1.02980891030736e-06  -1.42782882136616e-06 -1.40511117637343e-06
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-6.86359529764882e+00 1.04514954593223e-03  -1.28053080194224e+01   3.01299240924835e+00 3.01299240924835e+00  3.95570284400191e+00 3.95570284400191e+00  3.97456875582047e-03 4.00218944316126e-03  5.60134433574248e-03 5.68558493242197e-03  1.07745968248419e-06 1.05083146515176e-06  -1.45697635814373e-06 -1.43379497328420e-06
-6.85854327163582e+00 1.05044302877349e-03  -1.28053080194224e+01   3.01299244504804e+00 3.01299244504804e+00  3.95570291711072e+00 3.95570291711072e+00  3.99469918675182e-03 4.02245976797405e-03  5.62971413159760e-03 5.71438139154334e-03  1.08840176887641e-06 1.06150313538627e-06  -1.47177250608151e-06 -1.44835571345399e-06
-6.85349124562281e+00 1.05576332209437e-03  -1.28053080194224e+01   3.01299248121596e+00 3.01299248121596e+00  3.95570299097907e+00 3.95570299097907e+00  4.01493157447005e-03 4.04283275811523e-03  5.65822761595287e-03 5.74332370014421e-03  1.09945497912378e-06 1.07228318333881e-06  -1.48671891622861e-06 -1.46306432531726e-06
-6.84843921960980e+00 1.06111056168481e-03  -1.28053080194224e+01   3.01299251775586e+00 3.01299251775586e+00  3.95570306561476e+00 3.95570306561476e+00  4.03526643536688e-03 4.06330893356522e-03  5.68688551657723e-03 5.77241259693862e-03  1.11062044180222e-06 1.08317270969778e-06  -1.50181711460742e-06 -1.47792231062239e-06
-6.84338719359680e+00 1.06648488402252e-03  -1.28053080194224e+01   3.01299255467153e+00 3.01299255467153e+00  3.95570314102564e+00 3.95570314102564e+00  4.05570428844945e-03 4.08388881693809e-03  5.71568856492585e-03 5.80164882438231e-03  1.12189929695032e-06 1.09417282633107e-06  -1.51706864273891e-06 -1.49293118636991e-06
-6.83833516758379e+00 1.07188642627646e-03  -1.28053080194224e+01   3.01299259196681e+00 3.01299259196681e+00  3.95570321721966e+00 3.95570321721966e+00  4.07624565535360e-03 4.10457293349481e-03  5.74463749615881e-03 5.83103312869164e-03  1.13329269618590e-06 1.10528465639966e-06  -1.53247505780009e-06 -1.50809248496742e-06
-6.83328314157079e+00 1.07731532631030e-03  -1.28053080194224e+01   3.01299262964558e+00 3.01299262964558e+00  3.95570329420483e+00 3.95570329420483e+00  4.09689106035715e-03 4.12536181115673e-03  5.77373304915984e-03 5.86056625986262e-03  1.14480180282347e-06 1.11650933447231e-06  -1.54803793278297e-06 -1.52340775438603e-06
-6.82823111555778e+00 1.08277172268596e-03  -1.28053080194224e+01   3.01299266770658e+00 3.01299266770658e+00  3.95570337197032e+00 3.95570337197032e+00  4.11764103038193e-03 4.14625598050768e-03  5.80297596651159e-03 5.89024897164624e-03  1.15642779188916e-06 1.12784800653739e-06  -1.56375885656437e-06 -1.53887855822510e-06
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2.93733516758379e+00 1.88655058560523e+01  -2.12027179692961e-01   2.72902011332021e-13 2.72902011332021e-13  -2.84150540444193e-13 -2.84150540444193e-13  4.57652912833313e-11 4.41525714005032e-11  -4.71915141861067e-11 -4.55321687326182e-11  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.94238719359680e+00 1.89610560401665e+01  -2.10958714095959e-01   2.48293713565335e-13 2.48293713565335e-13  -2.58527934749192e-13 -2.58527934749192e-13  4.29070321780489e-11 4.13869229554794e-11  -4.42441812143157e-11 -4.26801049413911e-11  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.94743921960980e+00 1.90570901677145e+01  -2.09895632802673e-01   2.25808949579493e-13 2.25808949579493e-13  -2.35116390744000e-13 -2.35116390744000e-13  4.02164792185573e-11 3.87840508020592e-11  -4.14697806924964e-11 -3.99959035087429e-11  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.95249124562281e+00 1.91536106897774e+01  -2.08837908680055e-01   2.05273130153511e-13 2.05273130153511e-13  -2.13734122998231e-13 -2.13734122998231e-13  3.76844686674494e-11 3.63350310719886e-11  -3.88588633119281e-11 -3.74703617358718e-11  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.95754327163582e+00 1.92506200698504e+01  -2.07785514731792e-01   1.86525267203196e-13 1.86525267203196e-13  -1.94213507827680e-13 -1.94213507827680e-13  3.53022980723086e-11 3.40313907171650e-11  -3.64024554238324e-11 -3.50947418300635e-11  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.96259529764882e+00 1.93481207839061e+01  -2.06738424097610e-01   1.69416976758784e-13 1.69416976758784e-13  -1.76400045176999e-13 -1.76400045176999e-13  3.30617052148933e-11 3.18650868550146e-11  -3.40920373325646e-11 -3.28607496047212e-11  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.96764732366183e+00 1.94461153204573e+01  -2.05696610052593e-01   1.53811550066432e-13 1.53811550066432e-13  -1.60151391434119e-13 -1.60151391434119e-13  3.09548479082209e-11 2.98284869496198e-11  -3.19195224631258e-11 -3.07605140412592e-11  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.97269934967484e+00 1.95446061806204e+01  -2.04660046006498e-01   1.39583088520347e-13 1.39583088520347e-13  -1.45336458706257e-13 -1.45336458706257e-13  2.89742846102255e-11 2.79143497976166e-11  -2.98772373706961e-11 -2.87865676809095e-11  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.97775137568784e+00 1.96435958781800e+01  -2.03628705503081e-01   1.26615698479639e-13 1.26615698479639e-13  -1.31834576448944e-13 -1.31834576448944e-13  2.71129558452157e-11 2.61158073096324e-11  -2.79579025831387e-11 -2.69318278369255e-11  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.98280340170085e+00 1.97430869396520e+01  -2.02602562219414e-01   1.14802742006634e-13 1.14802742006634e-13  -1.19534711321462e-13 -1.19534711321462e-13  2.53641663752885e-11 2.44263470307792e-11  -2.61546142168309e-11 -2.51895785689313e-11  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.98785542771386e+00 1.98430819043490e+01  -2.01581589965223e-01   1.04046140079750e-13 1.04046140079750e-13  -1.08334741679722e-13 -1.08334741679722e-13  2.37215681241869e-11 2.28397954018781e-11  -2.44608263683865e-11 -2.35534534211473e-11  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.99290745372686e+00 1.99435833244445e+01  -2.00565762682210e-01   9.42557248005249e-14 9.42557248005249e-14  -9.81407830826991e-14 -9.81407830826991e-14  2.21791438077790e-11 2.13503017165647e-11  -2.28703342350189e-11 -2.20174188782375e-11  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
2.99795947973987e+00 2.00445937650385e+01  -1.99555054443394e-01   8.53486374560702e-14 8.53486374560702e-14  -8.88665615443697e-14 -8.88665615443697e-14  2.07311912555639e-11 1.99523227585785e-11  -2.13772579474649e-11 -2.05757585225932e-11  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.00301150575288e+00 2.01461158042225e+01  -1.98549439452448e-01   7.72487694196567e-14 7.72487694196567e-14  -8.04328313894439e-14 -8.04328313894439e-14  1.93723083943864e-11 1.86406080908192e-11  -1.99760270857530e-11 -1.92230578637476e-11  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.00806353176588e+00 2.02481520331457e+01  -1.97548892043038e-01   6.98862430419881e-14 6.98862430419881e-14  -7.27668347481197e-14 -7.27668347481197e-14  1.80973788629786e-11 1.74101859653217e-11  -1.86613658454562e-11 -1.79541898081093e-11  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.01311555777889e+00 2.03507050560809e+01  -1.96553386678173e-01   6.31969299676511e-14 6.31969299676511e-14  -6.58018000185878e-14 -6.58018000185878e-14  1.69015582549968e-11 1.62563498512788e-11  -1.74282788520263e-11 -1.67643007660536e-11  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.01816758379190e+00 2.04537774904911e+01  -1.95562897949548e-01   5.71220042921877e-14 5.71220042921877e-14  -5.94764766062085e-14 -5.94764766062085e-14  1.57802609452441e-11 1.51746455368978e-11  -1.62720375764852e-11 -1.56487973507773e-11  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.02321960980490e+00 2.05573719670961e+01  -1.94577400576897e-01   5.16075282740519e-14 5.16075282740519e-14  -5.37347035594099e-14 -5.37347035594099e-14  1.47291474902040e-11 1.41608587959728e-11  -1.51881673433263e-11 -1.46033336595131e-11  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.02827163581791e+00 2.06614911299401e+01  -1.93596869407351e-01   4.66040683820575e-14 4.66040683820575e-14  -4.85250097914354e-14 -4.85250097914354e-14  1.37441125757790e-11 1.32110035925257e-11  -1.41724349026709e-11 -1.36237991096244e-11  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.03332366183092e+00 2.07661376364586e+01  -1.92621279414793e-01   4.20663396298799e-14 4.20663396298799e-14  -4.38002437550735e-14 -4.38002437550735e-14  1.28212734949905e-11 1.23213108063828e-11  -1.32208365489018e-11 -1.27063068119117e-11  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.03837568784392e+00 2.08713141575466e+01  -1.91650605699217e-01   3.79528762593827e-14 3.79528762593827e-14  -3.95172305522509e-14 -3.95172305522509e-14  1.19569591344356e-11 1.14882174587618e-11  -1.23295867639076e-11 -1.18471824595528e-11  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.04342771385693e+00 2.09770233776267e+01  -1.90684823486099e-01   3.42257269522449e-14 3.42257269522449e-14  -3.56364545829266e-14 -3.56364545829266e-14  1.11476994475571e-11 1.07083564162593e-11  -1.14951073623106e-11 -1.10429537103904e-11  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.04847973986994e+00 2.10832679947175e+01  -1.89723908125759e-01   3.08501728938942e-14 3.08501728938942e-14  -3.21217659882132e-14 -3.21217659882132e-14  1.03902154029550e-11 9.97854656142057e-12  -1.07140171265383e-11 -1.02903400503797e-11  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.05353176588294e+00 2.11900507205026e+01  -1.88767835092733e-01   2.77944670633312e-14 2.77944670633312e-14  -2.89401091942726e-14 -2.89401091942726e-14  9.68140937832761e-12 9.29578340114746e-12  -9.98312190141361e-12 -9.58624310855489e-12  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.05858379189595e+00 2.12973742803999e+01  -1.87816579985149e-01   2.50295932994982e-14 2.50295932994982e-14  -2.60612720479015e-14 -2.60612720479015e-14  9.01835599521588e-12 8.65723010783634e-12  -9.29940514328222e-12 -8.92773741824626e-12  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.06363581790895e+00 2.14052414136307e+01  -1.86870118524104e-01   2.25290437198821e-14 2.25290437198821e-14  -2.34576540607896e-14 -2.34576540607896e-14  8.39829336766751e-12 8.06020896697102e-12  -8.66001889596053e-12 -8.31206159745104e-12  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.06868784392196e+00 2.15136548732902e+01  -1.85928426553042e-01   2.02686131977728e-14 2.02686131977728e-14  -2.11040524155529e-14 -2.11040524155529e-14  7.81861475117425e-12 7.50219321762831e-12  -8.06227517942906e-12 -7.73660993439404e-12  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.07373986993497e+00 2.16226174264175e+01  -1.84991480037143e-01   1.82262096937937e-14 1.82262096937937e-14  -1.89774644795187e-14 -1.89774644795187e-14  7.27686058129782e-12 6.98079927530891e-12  -7.50363778035855e-12 -7.19892436735894e-12  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.07879189594797e+00 2.17321318540660e+01  -1.84059255062702e-01   1.63816792348047e-14 1.63816792348047e-14  -1.70569055696150e-14 -1.70569055696150e-14  6.77071086603277e-12 6.49377930214365e-12  -6.98171440739620e-12 -6.69668682274870e-12  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.08384392196098e+00 2.18422009513749e+01  -1.83131727836520e-01   1.47166471395368e-14 1.47166471395368e-14  -1.53232436336481e-14 -1.53232436336481e-14  6.29797871608921e-12 6.03901487845284e-12  -6.49425001983359e-12 -6.22771268891180e-12  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.08889594797399e+00 2.19528275276399e+01  -1.82208874685302e-01   1.32143082389712e-14 1.32143082389712e-14  -1.37589808239634e-14 -1.37589808239634e-14  5.85659215305149e-12 5.61449934495714e-12  -6.03910806883948e-12 -5.78993260661747e-12  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.09394797398699e+00 2.20640144063856e+01  -1.81290672055046e-01   1.18581856310716e-14 1.18581856310716e-14  -1.23469610900860e-14 -1.23469610900860e-14  5.44408655722013e-12 5.21785084321011e-12  -5.61374712785475e-12 -5.38089029372461e-12  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.09900000000000e+00 2.21757644254371e+01  -1.80377096510392e-01   1.07012147087591e-14 1.07012147087591e-14  -1.11423017403460e-14 -1.11423017403460e-14  5.08222754627941e-12 4.86997004461894e-12  -5.24061112366188e-12 -5.02213949508172e-12  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
Pseudo.Potentials>


***********************************************************
**            Core electron densities for PCC            **
***********************************************************
<density.PCC
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3.09900000000000e+00 2.21757644254371e+01  4.66976960416571e-19
density.PCC>