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

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

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

 <<< Atom >>>
 AtomSpecies                 80
 max.ocupied.N               6
 total.electron              80.0000
 valence.electron            18.0000

 <ocupied.electrons
 1  2.0000 
 2  2.0000  6.0000 
 3  2.0000  6.0000  10.0000 
 4  2.0000  6.0000  10.0000  14.0000 
 5  2.0000  6.0000  10.0000  0.0000  0.0000 
 6  2.0000  0.0000  0.0000  0.0000  0.0000  0.0000 
 ocupied.electrons>

 <<< parameters for solving 1D-differential equations >>>
 grid.xmin                   -7.500
 grid.xmax                    3.700
 grid.num                    14000
 grid.num.output             2000

 <<< SCF >>>
 scf.maxIter                 65
 scf.Mixing.Type             Simple
 scf.Init.Mixing.Weight      0.10000
 scf.Min.Mixing.Weight       0.00100
 scf.Max.Mixing.Weight       0.30000
 scf.Mixing.History          7
 scf.Mixing.StartPulay       4
 scf.criterion               0.00000000000010

 <<< Pseudo potential >>>
 vps.type                    TM
 number.vps                  5
 <pseudo.NandL
  0    5   1   1.6000
  1    5   2   1.5000
  2    5   3   1.8000
  3    6   0   1.9000
  4    6   1   2.0000
 pseudo.NandL>
 Blochl.projector.num        2
 local.type                  Polynomial
 local.part.vps              5
 local.cutoff                1.70000
 local.origin.ratio          2.60000
 log.deri.RadF.calc          ON
 log.deri.MinE               -3.70000
 log.deri.MaxE               2.30000
 log.deri.num                50
 <log.deri.R
  0   2.8000  2.8000
  1   2.8000  2.8000
  2   2.8000  2.8000
  3   2.8000  2.8000
 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                    4
 num.pao                     5
 radial.cutoff.pao           11.00000
 height.of.wall              20000.00000
 rising.edge                 0.20000
 search.LowerE               -3.00000
 search.UpperE               7.00000
 num.of.partition            4000
 matching.point.ratio        0.60000

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


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

                         j=l+1/2                j=l-1/2
 n=  1  l=  0     -2964.9275800971691    -2964.9275800971691
 n=  2  l=  0      -523.1084899507759     -523.1084899507759
 n=  2  l=  1      -438.1973855170138     -507.5111346343601
 n=  3  l=  0      -125.8450713525818     -125.8450713525818
 n=  3  l=  1      -102.3329550224004     -117.4548764901764
 n=  3  l=  2       -82.0934143909836      -85.2799048210690
 n=  4  l=  0       -27.1314644011668      -27.1314644011668
 n=  4  l=  1       -19.7094381567372      -23.4223362677795
 n=  4  l=  2       -12.1590024244575      -12.8558606959410
 n=  4  l=  3        -3.6190761556503       -3.7826497373165
 n=  5  l=  0        -4.1820542689160       -4.1820542689160
 n=  5  l=  1        -2.2462260977572       -2.9109812091023
 n=  5  l=  2        -0.3445828688473       -0.4120768496417
 n=  6  l=  0        -0.2564576328148       -0.2564576328148


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

 Eeigen =   -11949.7945270983000
 Ekin   =    22040.3813007566023
 EHart  =     7646.3288564421564
 Exc    =     -257.8081347425445
 Eec    =   -48953.5102304761531
 Etot   = Ekin + EHart + Exc + Eec
 Etot   =   -19524.6082080199376


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

j.dependent.pseudo.potentials   on

<VPS> L=0, dif of log deris for all electrons = 1792.4405672656 1792.4405672656
<VPS> L=0, dif of log deris for semi local    = 17222.7218840872 17222.7218840872
<VPS> L=1, dif of log deris for all electrons =  547.3235967247 1132.2870484086
<VPS> L=1, dif of log deris for semi local    =    2.5117460405  361.4303102664
<VPS> L=2, dif of log deris for all electrons =    1.2742321222  193.4712104141
<VPS> L=2, dif of log deris for semi local    =    0.3260282006   49.4486417178
<VPS> L=3, dif of log deris for all electrons =   19.9617140399    4.2419277535
<VPS> L=3, dif of log deris for semi local    =    3.2289399806    1.1768400689

<project.energies
 8
 0    2.66203857467300e+00   2.66203857467300e+00
 0    6.22411115836156e+00   6.22411115836156e+00
 1    6.40567388111004e-01   7.62182281942017e-01
 1    2.01693098925970e+00   2.40297696178872e+00
 2    1.74044921293261e+00   1.71940381421810e+00
 2    3.99599007909526e+00   3.94499900533509e+00
 3    4.11959530397980e+00   4.29335296107010e+00
 3    5.03414599425653e+00   5.13322262162485e+00
project.energies>

<Pseudo.Potentials
-7.50000000000000e+00 5.53084370147834e-04  -2.75199050254545e+01   2.12650972565543e+00 2.12650972565543e+00  2.82324825405227e+00 2.82324825405227e+00  9.91306844639492e-03 8.91981113718808e-03  9.05980860912682e-03 7.45548363730374e-03  3.77630324888963e-06 3.68389215644177e-06  5.21721175536759e-06 4.93733578795342e-06  6.16603933339888e-10 6.23444280932900e-10  1.72083261346652e-09 1.75888115176917e-09
-7.49439769884942e+00 5.56191611073859e-04  -2.75199050254545e+01   2.12650972558118e+00 2.12650972558118e+00  2.82324824990535e+00 2.82324824990535e+00  9.96876025313400e-03 8.96992278911785e-03  9.11070674998619e-03 7.49736862376113e-03  3.81885313380840e-06 3.72540078741870e-06  5.27599720258373e-06 4.99296769772542e-06  6.27054707514895e-10 6.34010991664569e-10  1.74999886637173e-09 1.78869228642687e-09
-7.48879539769885e+00 5.59316308552072e-04  -2.75199050254545e+01   2.12650972549694e+00 2.12650972549694e+00  2.82324824567790e+00 2.82324824567790e+00  1.00247649369192e-02 9.02031596841994e-03  9.16189083623413e-03 7.53948891908390e-03  3.86188245361401e-06 3.76737712079106e-06  5.33544501980563e-06 5.04922644455237e-06  6.37682611008899e-10 6.44756796714949e-10  1.77965945534646e-09 1.81900868719918e-09
-7.48319309654827e+00 5.62458560653794e-04  -2.75199050254545e+01   2.12650972540253e+00 2.12650972540253e+00  2.82324824136883e+00 2.82324824136883e+00  1.00810842554861e-02 9.07099225670242e-03  9.21336247428899e-03 7.58184584520537e-03  3.90539661037739e-06 3.80982642643141e-06  5.39556267032401e-06 5.10611909135039e-06  6.48490645970069e-10 6.55684731536821e-10  1.80982275883435e-09 1.84983891778194e-09
-7.47759079539770e+00 5.65618466001308e-04  -2.75199050254545e+01   2.12650972529780e+00 2.12650972529780e+00  2.82324823697703e+00 2.82324823697703e+00  1.01377199764450e-02 9.12195324445851e-03  9.26512327959353e-03 7.62444073148478e-03  3.94940106703757e-06 3.85275403359085e-06  5.45635770152216e-06 5.16365278061685e-06  6.59481865429638e-10 6.66797883030504e-10  1.84049729728394e-09 1.88119168701570e-09
-7.47198849424712e+00 5.68796123770962e-04  -2.75199050254545e+01   2.12650972518256e+00 2.12650972518256e+00  2.82324823250136e+00 2.82324823250136e+00  1.01946738773365e-02 9.17320053111653e-03  9.31717487666558e-03 7.66727491474907e-03  3.99390134808748e-06 3.89616533156800e-06  5.51783774582348e-06 5.22183473532705e-06  6.70659374164312e-10 6.78099390415835e-10  1.87169173555547e-09 1.91307585134579e-09
-7.46638619309655e+00 5.71991633696280e-04  -2.75199050254545e+01   2.12650972505666e+00 2.12650972505666e+00  2.82324822794068e+00 2.82324822794068e+00  1.02519477456868e-02 9.22473572509003e-03  9.36951889914887e-03 7.71034973933471e-03  4.03890304026756e-06 3.94006577038563e-06  5.58001052164959e-06 5.28067225984089e-06  6.82026329573289e-10 6.89592446118914e-10  1.90341488536850e-09 1.94550041732391e-09
-7.46078389194597e+00 5.75205096071089e-04  -2.75199050254545e+01   2.12650972491991e+00 2.12650972491991e+00  2.82324822329383e+00 2.82324822329383e+00  1.03095433790648e-02 9.27656044382838e-03  9.42215698986462e-03 7.75366655713014e-03  4.08441179326708e-06 3.98446086147486e-06  5.64288383438940e-06 5.34017274082006e-06  6.93585942570162e-10 7.01280296673909e-10  1.93567570779098e-09 1.97847454415246e-09
-7.45518159079540e+00 5.78436611752670e-04  -2.75199050254545e+01   2.12650972477215e+00 2.12650972477215e+00  2.82324821855966e+00 2.82324821855966e+00  1.03674625851374e-02 9.32867631386737e-03  9.47509080086270e-03 7.79722672761783e-03  4.13043332043345e-06 4.02935617836704e-06  5.70646557737890e-06 5.40034364815511e-06  7.05341478489917e-10 7.13166243640101e-10  1.96848331577054e-09 2.01200754627155e-09
-7.44957928964482e+00 5.81686282164923e-04  -2.75199050254545e+01   2.12650972461318e+00 2.12650972461318e+00  2.82324821373697e+00 2.82324821373697e+00  1.04257071817269e-02 9.38108497088041e-03  9.52832199347378e-03 7.84103161791730e-03  4.17697339948950e-06 4.07475735739353e-06  5.77076373289218e-06 5.46119253590345e-06  7.17296258011314e-10 7.25253644534516e-10  2.00184697670865e-09 2.04610889599030e-09
-7.44397698849425e+00 5.84954209301550e-04  -2.75199050254545e+01   2.12650972444284e+00 2.12650972444284e+00  2.82324820882456e+00 2.82324820882456e+00  1.04842789968679e-02 9.43378805972969e-03  9.58185223836120e-03 7.88508260282761e-03  4.22403787325875e-06 4.12067009839321e-06  5.83578637314345e-06 5.52272704323746e-06  7.29453658094900e-10 7.37545913780329e-10  2.03577611507839e-09 2.08078822616232e-09
-7.43837468734367e+00 5.88240495729254e-04  -2.75199050254545e+01   2.12650972432042e+00 2.12650972432042e+00  2.82324820404072e+00 2.82324820404072e+00  1.05431798694603e-02 9.48678723531795e-03  9.63568321743638e-03 7.92938106731867e-03  4.27163265073928e-06 4.16710016581421e-06  5.90154166263906e-06 5.58495489690314e-06  7.41817113049390e-10 7.50046523784598e-10  2.07028031585166e-09 2.11605533368289e-09
-7.43277238619310e+00 5.91545244590964e-04  -2.75199050254545e+01   2.12650972437369e+00 2.12650972437369e+00  2.82324819985627e+00 2.82324819985627e+00  1.06024116494339e-02 9.54008416278380e-03  9.68981662424573e-03 7.97392840701378e-03  4.31976370791641e-06 4.21405338951802e-06  5.96803785948155e-06 5.64788391250253e-06  7.54390115528498e-10 7.62759005946027e-10  2.10536932738840e-09 2.15192018244058e-09
-7.42717008504252e+00 5.94868559609063e-04  -2.75199050254545e+01   2.12650972441644e+00 2.12650972441644e+00  2.82324819558362e+00 2.82324819558362e+00  1.06619761939538e-02 9.59368051238021e-03  9.74425415197626e-03 8.01872601240187e-03  4.36843708629897e-06 4.26153566299915e-06  6.03528330769595e-06 5.71152198571812e-06  7.67176216781269e-10 7.75686950911279e-10  2.14105305918238e-09 2.18839290105202e-09
-7.42156778389195e+00 5.98210545088654e-04  -2.75199050254545e+01   2.12650972444847e+00 2.12650972444847e+00  2.82324819122155e+00 2.82324819122155e+00  1.07218753724812e-02 9.64757796624474e-03  9.79899750915143e-03 8.06377528943715e-03  4.41765889653266e-06 4.30955294736451e-06  6.10328644950921e-06 5.77587710588542e-06  7.80179028598134e-10 7.88834010538517e-10  2.17734159107384e-09 2.22548379222853e-09
-7.41596548274137e+00 6.01571305920826e-04  -2.75199050254545e+01   2.12650972446962e+00 2.12650972446962e+00  2.82324818676881e+00 2.82324818676881e+00  1.07821110649797e-02 9.70177821596482e-03  9.85404841389280e-03 8.10907765197178e-03  4.46743531811517e-06 4.35811127088802e-06  6.17205582227098e-06 5.84095735235946e-06  7.93402223985318e-10 8.02203898580812e-10  2.21424517374452e-09 2.26320333330038e-09
-7.41036318159080e+00 6.04950947585948e-04  -2.75199050254545e+01   2.12650972447969e+00 2.12650972447969e+00  2.82324818222414e+00 2.82324818222414e+00  1.08426851619740e-02 9.75628296263085e-03  9.90940859397348e-03 8.15463452180002e-03  4.51777260017190e-06 4.40721672976732e-06  6.24160005952522e-06 5.90677089552899e-06  8.06849538202383e-10 8.15800391735177e-10  2.25177423161319e-09 2.30156217917630e-09
-7.40476088044022e+00 6.08349576156982e-04  -2.75199050254545e+01   2.12650972447849e+00 2.12650972447849e+00  2.82324817758628e+00 2.82324817758628e+00  1.09035995646098e-02 9.81109391688957e-03  9.96507978687273e-03 8.20044732870311e-03  4.56867706224053e-06 4.45687548888918e-06  6.31192789209423e-06 5.97332599784235e-06  8.20524769817343e-10 8.29627330709404e-10  2.28993936578031e-09 2.34057116535321e-09
-7.39915857928964e+00 6.11767298302809e-04  -2.75199050254545e+01   2.12650972446583e+00 2.12650972446583e+00  2.82324817285393e+00 2.82324817285393e+00  1.09648561847129e-02 9.86621279899774e-03  1.00210637398303e-02 8.24651751049384e-03  4.62015509506435e-06 4.50709378260339e-06  6.38304814917458e-06 6.04063101484459e-06  8.34431781779676e-10 8.43688621306967e-10  2.32875135702253e-09 2.38024131097704e-09
-7.39355627813907e+00 6.15204221291578e-04  -2.75199050254545e+01   2.12650972444152e+00 2.12650972444152e+00  2.82324816802579e+00 2.82324816802579e+00  1.10264569448495e-02 9.92164133887614e-03  1.00773622099014e-02 8.29284651306194e-03  4.67221316139463e-06 4.55787791550549e-06  6.45496975944567e-06 6.10869439622656e-06  8.48574502511514e-10 8.57988235530319e-10  2.36822116883805e-09 2.42058382195527e-09
-7.38795397698849e+00 6.18660452994075e-04  -2.75199050254545e+01   2.12650972440536e+00 2.12650972440536e+00  2.82324816310054e+00 2.82324816310054e+00  1.10884037783866e-02 9.97738127616380e-03  1.01339769640115e-02 8.33943579041913e-03  4.72485779680187e-06 4.60923426322818e-06  6.52770175219044e-06 6.17752468688546e-06  8.62956927017321e-10 8.72530212702889e-10  2.40835995054338e-09 2.46161009412234e-09
-7.38235167583792e+00 6.22136101887105e-04  -2.75199050254545e+01   2.12650972435715e+00 2.12650972435715e+00  2.82324815807684e+00 2.82324815807684e+00  1.11506986295523e-02 1.00334343602727e-02  1.01909097790121e-02 8.38628680474506e-03  4.77809561049640e-06 4.66116927324183e-06  6.60125325842909e-06 6.24713052799782e-06  8.77583118012390e-10 8.87318660610090e-10  2.44917904042287e-09 2.50333171645865e-09
-7.37674937468734e+00 6.25631277056898e-04  -2.75199050254545e+01   2.12650972429668e+00 2.12650972429668e+00  2.82324815295333e+00 2.82324815295333e+00  1.12133434534974e-02 1.00898023504425e-02  1.02481624417364e-02 8.43340102643292e-03  4.83193328615801e-06 4.71368946566381e-06  6.67563351206528e-06 6.31752065810410e-06  8.92457207070465e-10 9.02357756659674e-10  2.49068996893138e-09 2.54576047436417e-09
-7.37114707353677e+00 6.29146088202533e-04  -2.75199050254545e+01   2.12650972422377e+00 2.12650972422377e+00  2.82324814772865e+00 2.82324814772865e+00  1.12763402163561e-02 1.01464870157959e-02  1.03057367490554e-02 8.48077993413579e-03  4.88637758277513e-06 4.76680143407709e-06  6.75085185104542e-06 6.38870391420583e-06  9.07583395790815e-10 9.17651749061753e-10  2.53290446195142e-09 2.58890835298753e-09
-7.36554477238619e+00 6.32680645639383e-04  -2.75199050254545e+01   2.12650972413818e+00 2.12650972413818e+00  2.82324814240141e+00 2.82324814240141e+00  1.13396908953081e-02 1.02034901353941e-02  1.03636345079341e-02 8.52842501481270e-03  4.94143533549327e-06 4.82051184635801e-06  6.82691771853081e-06 6.46068923287490e-06  9.22965956985062e-10 9.33204958028796e-10  2.57583444410525e-09 2.63278754061137e-09
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3.61496548274137e+00 3.71500635851624e+01  -4.84521377992846e-01   1.36684074347534e-16 1.36684074347534e-16  -1.41362707016605e-16 -1.41362707016605e-16  3.46169214020806e-38 1.24507826117675e-42  -4.49808868850214e-38 -1.72837722052265e-42  4.88623325425237e-19 3.31240970757910e-20  -5.72158930282351e-19 -3.98503922474850e-20  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.62056778389195e+00 3.73587735111822e+01  -4.81814532680573e-01   1.16657317868465e-16 1.16657317868465e-16  -1.20650461109831e-16 -1.20650461109831e-16  2.23948719033228e-38 7.61472803294390e-43  -2.90996823296790e-38 -1.05705214262650e-42  4.07461041004871e-19 2.71945509546695e-20  -4.77121233228910e-19 -3.27167860106930e-20  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.62617008504252e+00 3.75686559744472e+01  -4.79122809531893e-01   9.94836376691930e-17 9.94836376691930e-17  -1.02888945822486e-16 -1.02888945822486e-16  1.44548458981007e-38 4.64504976464423e-43  -1.87824924976229e-38 -6.44811115495804e-43  3.39462335315281e-19 2.23036634312431e-20  -3.97497512930156e-19 -2.68327468194914e-20  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.63177238619310e+00 3.77797175622993e+01  -4.76446124064762e-01   8.47685814582718e-17 8.47685814582718e-17  -8.76702080669829e-17 -8.76702080669829e-17  9.30846157230370e-39 2.82617326932842e-43  -1.20953310727144e-38 -3.92320550595763e-43  2.82545667267347e-19 1.82736238665316e-20  -3.30850381150226e-19 -2.19843585764412e-20  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.63737468734367e+00 3.79919648990878e+01  -4.73784392269101e-01   7.21704999504108e-17 7.21704999504108e-17  -7.46409049723427e-17 -7.46409049723427e-17  5.98048916666526e-39 1.71503828557059e-43  -7.77099536245510e-39 -2.38076331374718e-43  2.34949903139990e-19 1.49563311955528e-20  -2.75117630894961e-19 -1.79934473642291e-20  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.64297698849425e+00 3.82054046463781e+01  -4.71137530604170e-01   6.13937205941150e-17 6.13937205941150e-17  -6.34952439880825e-17 -6.34952439880825e-17  3.83340431133774e-39 1.03802934553662e-43  -4.98109310891950e-39 -1.44096078389192e-43  1.95186400479535e-19 1.22285566722734e-20  -2.28556129176159e-19 -1.47117619897220e-20  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.64857928964482e+00 3.84200435031602e+01  -4.68505455995938e-01   5.21825708410004e-17 5.21825708410004e-17  -5.39688016033867e-17 -5.39688016033867e-17  2.45141256997721e-39 6.26614365552978e-44  -3.18534540460071e-39 -8.69847269485293e-44  1.61998039523482e-19 9.98787278456148e-21  -1.89693844936396e-19 -1.20160762654021e-20  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.65418159079540e+00 3.86358882060592e+01  -4.65888085834479e-01   4.43161495424955e-17 4.43161495424955e-17  -4.58331157967880e-17 -4.58331157967880e-17  1.56396405740868e-39 3.77259395569303e-44  -2.03220250146257e-39 -5.23700331092005e-44  1.34324228066378e-19 8.14923053524493e-21  -1.57288871542791e-19 -9.80407130522256e-21  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.65978389194597e+00 3.88529455295470e+01  -4.63285337971379e-01   3.76037566293486e-17 3.76037566293486e-17  -3.88909592971818e-17 -3.88909592971818e-17  9.95429232987904e-40 2.26528500498828e-44  -1.29345312322590e-39 -3.14460253257574e-44  1.11271037425626e-19 6.64208483208992e-21  -1.30294457517238e-19 -7.99087722125874e-21  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.66538619309655e+00 3.90712222861542e+01  -4.60697130717157e-01   3.18809015232369e-17 3.18809015232369e-17  -3.29722113831271e-17 -3.29722113831271e-17  6.32065269065728e-40 1.35657163662974e-44  -8.21300939327544e-40 -1.88315369742055e-44  9.20857417197407e-20 5.40798274786045e-21  -1.07829193306811e-19 -6.50617167516652e-21  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.67098849424712e+00 3.92907253266847e+01  -4.58123382838702e-01   2.70058199179852e-17 2.70058199179852e-17  -2.79302554500101e-17 -2.79302554500101e-17  4.00383322071529e-40 8.10202695174142e-45  -5.20255235796770e-40 -1.12470038210884e-44  7.61351323053110e-20 4.39854225983513e-21  -8.91516185628244e-20 -5.29174819535819e-21  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.67659079539770e+00 3.95114615404303e+01  -4.55564013556722e-01   2.28564367391625e-17 2.28564367391625e-17  -2.36388380255343e-17 -2.36388380255343e-17  2.53015459348067e-40 4.82580270978778e-45  -3.28766551732719e-40 -6.69904423902872e-45  6.28870657209334e-20 3.57376005387460e-21  -7.36386156854991e-20 -4.29948037502496e-21  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.68219309654827e+00 3.97334378553869e+01  -4.53018942543212e-01   1.93277203880021e-17 1.93277203880021e-17  -1.99893324608814e-17 -1.99893324608814e-17  1.59503233821650e-40 2.86657929313204e-45  -2.07257449359970e-40 -3.97930626117838e-45  5.18947786392350e-20 2.90059635210602e-21  -6.07670433905024e-20 -3.48961934340257e-21  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.68779539769885e+00 3.99566612384720e+01  -4.50488089918928e-01   1.63293766063752e-17 1.63293766063752e-17  -1.68883538661983e-17 -1.68883538661983e-17  1.00308170857035e-40 1.69812117665013e-45  -1.30339801359779e-40 -2.35728561559037e-45  4.27835567595217e-20 2.35179197746796e-21  -5.00981266182474e-20 -2.82937062972864e-21  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.69339769884943e+00 4.01811386957437e+01  -4.47971376250883e-01   1.37846934365073e-17 1.37846934365073e-17  -1.42565645424677e-17 -1.42565645424677e-17  6.29545792839704e-41 1.00367973561178e-45  -8.18027975733990e-41 -1.39328129146917e-45  3.52425405991868e-20 1.90507585931771e-21  -4.12678615467489e-20 -2.29194075160418e-21  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.69900000000000e+00 4.04068772726200e+01  -4.45468722549853e-01   1.17020620645902e-17 1.17020620645902e-17  -1.21026431124571e-17 -1.21026431124571e-17  4.48290551642597e-41 6.83694759041881e-46  -5.82506132868190e-41 -9.49086992941828e-46  2.92263253563158e-20 1.55421974124386e-21  -3.42230826591355e-20 -1.86983682713152e-21  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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density.PCC>