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

#
# File Name
#

System.CurrrentDir    ./             # default=./
System.Name           Dy_CA13_OC
Log.print             OFF            # ON|OFF

System.UseRestartfile  yes           # NO|YES, default=NO
System.Restartfile    Dy_CA13_OC     # default=null

#
# Calculation type
#

eq.type               dirac          # sch|sdirac|dirac 
calc.type             VPS            # ALL|VPS|PAO
xc.type               LDA            # LDA|GGA

#
# Atom
#

AtomSpecies             66
max.occupied.N           6
total.electron        66.0
valence.electron      11.0 
<occupied.electrons 
 1   2.0
 2   2.0  6.0
 3   2.0  6.0  10.0
 4   2.0  6.0  10.0  9.0
 5   2.0  6.0   1.0  0.0  0.0
 6   2.0  0.0   0.0  0.0  0.0  0.0
occupied.electrons>

#
# parameters for solving 1D-differential equations
#

grid.xmin             -10.0          # default=-7.0 rmin(a.u.)=exp(grid.xmin)
grid.xmax              3.2           # default= 2.5 rmax(a.u.)=exp(grid.xmax)
grid.num             12000           # default=4000
grid.num.output       1000           # default=2000

#
# SCF
#

scf.maxIter             60           # default=40            
scf.Mixing.Type       Simple         # Simple|GR-Pulay 
scf.Init.Mixing.Weight 0.10          # default=0.300 
scf.Min.Mixing.Weight  0.001         # default=0.001 
scf.Max.Mixing.Weight  0.900         # default=0.800 
scf.Mixing.History      7            # default=5
scf.Mixing.StartPulay   4            # default=6
scf.criterion         1.0e-13        # default=1.0e-9

#
# Pseudo potetial, cutoff (A.U.)
#

vps.type              MBK            # BHS|TM        
number.vps              5
<pseudo.NandL
 1  5  0  1.30  0.0 
 2  5  1  1.40  0.0
 3  5  2  1.70  0.0  
 4  5  3  2.90  1.3
 5  6  0  2.60  0.0
pseudo.NandL> 
Blochl.projector.num    3            # default=1 which means KB-form
local.type           polynomial      # Simple|Polynomial
local.part.vps          1            # default=0
local.cutoff           1.80          # default=smallest_cutoff_vps
local.origin.ratio     1.70          # default=3.0
log.deri.RadF.calc       on          # ON|OFF
log.deri.MinE          -2.0          # default=-3.0 (Hartree)
log.deri.MaxE           2.0          # default= 2.0 (Hartree) 
log.deri.num            100          # default=50
<log.deri.R
 0  3.0 3.0 
 1  3.0 3.0
 2  3.0 3.0
 3  3.0 3.0
log.deri.R>
ghost.check             off          # ON|OFF
 
#
# Core electron density for partial core correction
#   pcc.ratio=rho_core/rho_V,
#   pcc.ratio.origin = rho_core(orgin)/rho_core(ip)
#

charge.pcc.calc        on            # ON|OFF
pcc.ratio              0.8           # default=1.0     
pcc.ratio.origin       8.0           # default=6.0     

#
# Pseudo atomic orbitals
#

maxL.pao                4            # default=2
num.pao                15            # default=7 
radial.cutoff.pao      8.0           # default=5.0 (Bohr)
height.of.wall     30000.0           # default=4000.0 (Hartree)
rising.edge           0.2            # default=0.5(Bohr),r1=rc-rising.edge
search.LowerE       -3.000           # default=-3.000 (Hartree)
search.UpperE       60.000           # default=20.000 (Hartree)
num.of.partition     3000            # default=300
matching.point.ratio  0.67           # default=0.67
PAO.potential.charge  1.0            # default=0.0

*****************************************************
    SCF history in all electron calculations      
*****************************************************

 SCF=   1  Eeigen=-8458.5059226693156 (Hartree)  NormRD=101382.6802424750786
 SCF=   2  Eeigen=-8187.8390468485177 (Hartree)  NormRD=97235.8138515305473
 SCF=   3  Eeigen=-8180.6499701936555 (Hartree)  NormRD=92234.0652225289959
 SCF=   4  Eeigen=-8296.3597859784095 (Hartree)  NormRD=23204.7034832649042
 SCF=   5  Eeigen=-7643.4233364766360 (Hartree)  NormRD=2454.6201210020922
 SCF=   6  Eeigen=-7483.8077362074855 (Hartree)  NormRD=192.5540511434957
 SCF=   7  Eeigen=-7599.4524893415810 (Hartree)  NormRD= 16.1523170808528
 SCF=   8  Eeigen=-7399.4779771827707 (Hartree)  NormRD= 38.6144311134100
 SCF=   9  Eeigen=-7633.1821034386739 (Hartree)  NormRD=  2.2714685650882
 SCF=  10  Eeigen=-7564.2568580975212 (Hartree)  NormRD=  0.3921140187102
 SCF=  11  Eeigen=-7527.7291075469984 (Hartree)  NormRD=  0.1877255288754
 SCF=  12  Eeigen=-7506.4046633033013 (Hartree)  NormRD=  0.0174310550542
 SCF=  13  Eeigen=-7509.8384426502826 (Hartree)  NormRD=  0.0152597079398
 SCF=  14  Eeigen=-7499.2966055735114 (Hartree)  NormRD=  0.0486248045460
 SCF=  15  Eeigen=-7503.8018394545361 (Hartree)  NormRD=  0.0047035744342
 SCF=  16  Eeigen=-7505.2986193575416 (Hartree)  NormRD=  0.0003264786294
 SCF=  17  Eeigen=-7505.6878039319372 (Hartree)  NormRD=  0.0000214456746
 SCF=  18  Eeigen=-7505.7681739688096 (Hartree)  NormRD=  0.0000027426721
 SCF=  19  Eeigen=-7505.7820636702336 (Hartree)  NormRD=  0.0000007474436
 SCF=  20  Eeigen=-7505.7842538338418 (Hartree)  NormRD=  0.0000001915727
 SCF=  21  Eeigen=-7505.7860703169690 (Hartree)  NormRD=  0.0000000306033
 SCF=  22  Eeigen=-7505.7871471863018 (Hartree)  NormRD=  0.0000000031804
 SCF=  23  Eeigen=-7505.7874288132507 (Hartree)  NormRD=  0.0000000002139
 SCF=  24  Eeigen=-7505.7876915362949 (Hartree)  NormRD=  0.0000000000152
 SCF=  25  Eeigen=-7505.7876581334067 (Hartree)  NormRD=  0.0000000000075
 SCF=  26  Eeigen=-7505.7876579654776 (Hartree)  NormRD=  0.0000000000074
 SCF=  27  Eeigen=-7505.7876579035501 (Hartree)  NormRD=  0.0000000000074
 SCF=  28  Eeigen=-7505.7876578419382 (Hartree)  NormRD=  0.0000000000074
 SCF=  29  Eeigen=-7505.7876577805901 (Hartree)  NormRD=  0.0000000000074
 SCF=  30  Eeigen=-7505.7876577195611 (Hartree)  NormRD=  0.0000000000074
 SCF=  31  Eeigen=-7505.7876576587832 (Hartree)  NormRD=  0.0000000000074
 SCF=  32  Eeigen=-7505.7876575983155 (Hartree)  NormRD=  0.0000000000073
 SCF=  33  Eeigen=-7505.7876575381479 (Hartree)  NormRD=  0.0000000000073
 SCF=  34  Eeigen=-7505.7876574782540 (Hartree)  NormRD=  0.0000000000073
 SCF=  35  Eeigen=-7505.7876574186266 (Hartree)  NormRD=  0.0000000000073
 SCF=  36  Eeigen=-7505.7876573593257 (Hartree)  NormRD=  0.0000000000073
 SCF=  37  Eeigen=-7505.7876573002868 (Hartree)  NormRD=  0.0000000000072
 SCF=  38  Eeigen=-7505.7876572415444 (Hartree)  NormRD=  0.0000000000072
 SCF=  39  Eeigen=-7505.7876571830639 (Hartree)  NormRD=  0.0000000000072
 SCF=  40  Eeigen=-7505.7876571248844 (Hartree)  NormRD=  0.0000000000072
 SCF=  41  Eeigen=-7505.7876570669687 (Hartree)  NormRD=  0.0000000000072
 SCF=  42  Eeigen=-7505.7876570093404 (Hartree)  NormRD=  0.0000000000072
 SCF=  43  Eeigen=-7505.7876569519585 (Hartree)  NormRD=  0.0000000000071
 SCF=  44  Eeigen=-7505.7876568949005 (Hartree)  NormRD=  0.0000000000071
 SCF=  45  Eeigen=-7505.7876568381253 (Hartree)  NormRD=  0.0000000000071
 SCF=  46  Eeigen=-7505.7876567815883 (Hartree)  NormRD=  0.0000000000071
 SCF=  47  Eeigen=-7505.7876567253470 (Hartree)  NormRD=  0.0000000000071
 SCF=  48  Eeigen=-7505.7876566693803 (Hartree)  NormRD=  0.0000000000070
 SCF=  49  Eeigen=-7505.7876566136538 (Hartree)  NormRD=  0.0000000000070
 SCF=  50  Eeigen=-7505.7876565582274 (Hartree)  NormRD=  0.0000000000070
 SCF=  51  Eeigen=-7505.7876565030674 (Hartree)  NormRD=  0.0000000000070
 SCF=  52  Eeigen=-7505.7876564481712 (Hartree)  NormRD=  0.0000000000070
 SCF=  53  Eeigen=-7505.7876563935606 (Hartree)  NormRD=  0.0000000000070
 SCF=  54  Eeigen=-7505.7876563392301 (Hartree)  NormRD=  0.0000000000069
 SCF=  55  Eeigen=-7505.7876562851161 (Hartree)  NormRD=  0.0000000000069
 SCF=  56  Eeigen=-7505.7876562312804 (Hartree)  NormRD=  0.0000000000069
 SCF=  57  Eeigen=-7505.7876561777230 (Hartree)  NormRD=  0.0000000000069
 SCF=  58  Eeigen=-7505.7876561244666 (Hartree)  NormRD=  0.0000000000069
 SCF=  59  Eeigen=-7505.7876560714285 (Hartree)  NormRD=  0.0000000000069
 SCF=  60  Eeigen=-7505.7876560186778 (Hartree)  NormRD=  0.0000000000000

*****************************************************
 Eigenvalues (Hartree) in the all electron calculation
*****************************************************

                         j=l+1/2                j=l-1/2
 n=  1  l=  0     -1967.9850717663357    -1967.9850717663357
 n=  2  l=  0      -327.8081283295002     -327.8081283295002
 n=  2  l=  1      -282.5401172981612     -311.9106454965491
 n=  3  l=  0       -73.1737820916426      -73.1737820916426
 n=  3  l=  1       -60.1226676851699      -66.2187440086825
 n=  3  l=  2       -46.7834960829244      -48.1156721984706
 n=  4  l=  0       -14.6674249925999      -14.6674249925999
 n=  4  l=  1       -10.5482742348444      -11.9225216856505
 n=  4  l=  2        -5.7658683807044       -6.0155945858569
 n=  4  l=  3        -0.3289636231643       -0.3636339771745
 n=  5  l=  0        -1.9421818898850       -1.9421818898850
 n=  5  l=  1        -0.9973803592232       -1.1827900017571
 n=  5  l=  2        -0.0870100143399       -0.0976323007093
 n=  6  l=  0        -0.1622016095516       -0.1622016095516


*****************************************************
 Energies (Hartree) in the all electron calculation 
*****************************************************

 Eeigen =    -7505.7876560186778
 Ekin   =    13333.8939934904192
 EHart  =     4737.3954527459055
 Exc    =     -256.1009917180393
 Eec    =   -29974.6085475162108
 Etot   = Ekin + EHart + Exc + Eec
 Etot   =   -12159.4200929979233


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

j.dependent.pseudo.potentials   on

<VPS> L=0, dif of log deris for all electrons =  106.4500125352  106.4500125352
<VPS> L=0, dif of log deris for semi local    = 3548.8737866708 3548.8737866708
<VPS> L=1, dif of log deris for all electrons = 20021.8726440627 11236.9452561142
<VPS> L=1, dif of log deris for semi local    = 25536.6949787733 157845.7363320642
<VPS> L=2, dif of log deris for all electrons =   35.0799949198    3.1259167218
<VPS> L=2, dif of log deris for semi local    =   92.1848674416    8.3146293238
<VPS> L=3, dif of log deris for all electrons =   16.9917073154   26.1900222317
<VPS> L=3, dif of log deris for semi local    = 3223.0565477913 1623.2845948410

<project.energies
11
 0   -1.00000000000000e+00  -1.00000000000000e+00
 0    1.00000000000000e+00   1.00000000000000e+00
 1    1.00000000000000e+00  -1.00000000000000e+00
 1   -1.00000000000000e+00   1.00000000000000e+00
 1    1.00000000000000e+00   1.00000000000000e+00
 2    1.00000000000000e+00  -1.00000000000000e+00
 2   -1.00000000000000e+00   1.00000000000000e+00
 2    1.00000000000000e+00   1.00000000000000e+00
 3    1.00000000000000e+00   1.00000000000000e+00
 3   -1.00000000000000e+00  -1.00000000000000e+00
 3   -1.00000000000000e+00  -1.00000000000000e+00
project.energies>

<Pseudo.Potentials
-1.00000000000000e+01 4.53999297624849e-05  -1.03941302766295e+01   -9.54676412064516e+00 -9.54676412064516e+00  -1.17109897258562e+01 -1.17109897258562e+01  1.35062768614888e-03 5.77466666006259e-04  -1.18418664988577e-03 9.91086295562793e-04  1.16500845865637e-03 1.38701798030742e-03  1.02651109095634e-08 1.62812627451473e-08  -4.34450401094913e-09 2.08300417628129e-08  1.63388507528454e-08 2.26212138790100e-08  -1.58902561896564e-12 -3.27880475171888e-12  2.16729535090440e-12 3.69733228937773e-12  -2.95713080117614e-12 -3.44133344306212e-12
-9.98678778778779e+00 4.60037433419227e-05  -1.03941302766295e+01   -9.54676412163256e+00 -9.54676412163256e+00  -1.17109897299001e+01 -1.17109897299001e+01  1.36859087119147e-03 5.85146902894068e-04  -1.19993618925538e-03 1.00426762355007e-03  1.18050293040228e-03 1.40546515186772e-03  1.05399761409566e-08 1.67172203389086e-08  -4.46083525280037e-09 2.13878003978440e-08  1.67763503605456e-08 2.32269340944351e-08  -1.65327413620321e-12 -3.41137551777623e-12  2.25492484601674e-12 3.84682523302225e-12  -3.07669543686962e-12 -3.58047567485780e-12
-9.97357557557558e+00 4.66155875689986e-05  -1.03941302766295e+01   -9.54676412264649e+00 -9.54676412264649e+00  -1.17109897340524e+01 -1.17109897340524e+01  1.38679296442577e-03 5.92929286004954e-04  -1.21589519559659e-03 1.01762426160770e-03  1.19620347675136e-03 1.42415766858214e-03  1.08222013410857e-08 1.71648514144123e-08  -4.58028145501888e-09 2.19604939378680e-08  1.72255647399723e-08 2.38488734650993e-08  -1.72012039126916e-12 -3.54930647125394e-12  2.34609743385898e-12 4.00236257257533e-12  -3.20109438766293e-12 -3.72524379584899e-12
-9.96036336336336e+00 4.72355692503556e-05  -1.03941302766295e+01   -9.54676412368763e+00 -9.54676412368763e+00  -1.17109897383160e+01 -1.17109897383160e+01  1.40523714330192e-03 6.00815173871363e-04  -1.23206645479484e-03 1.03115854133849e-03  1.21211283847098e-03 1.44309879351164e-03  1.11119835852205e-08 1.76244685483347e-08  -4.70292602579238e-09 2.25485222895336e-08  1.76868075734103e-08 2.44874662855654e-08  -1.78966941758838e-12 -3.69281433873486e-12  2.44095637106004e-12 4.16418869898227e-12  -3.33052311772732e-12 -3.87586527564536e-12
-9.94715115115115e+00 4.78637966131523e-05  -1.03941302766295e+01   -9.54676412475672e+00 -9.54676412475672e+00  -1.17109897426939e+01 -1.17109897426939e+01  1.42392662752976e-03 6.08805943094060e-04  -1.24845278978754e-03 1.04487282535525e-03  1.22823379278041e-03 1.46229183311551e-03  1.14095252256457e-08 1.80963926871070e-08  -4.82885460670002e-09 2.31522960676485e-08  1.81604009425045e-08 2.51431584793487e-08  -1.86203049536551e-12 -3.84212460963201e-12  2.53965070649404e-12 4.33255788456201e-12  -3.46518499436856e-12 -4.03257678105587e-12
-9.93393893893894e+00 4.85003793239554e-05  -1.03941302766295e+01   -9.54676412585452e+00 -9.54676412585452e+00  -1.17109897471891e+01 -1.17109897471891e+01  1.44286467964090e-03 6.16902988582438e-04  -1.26505706105683e-03 1.05876950769330e-03  1.24456915383556e-03 1.48174013782856e-03  1.17150340329611e-08 1.85809533710289e-08  -4.95815513251512e-09 2.37722368819070e-08  1.86466755531648e-08 2.58164079103006e-08  -1.93731732329346e-12 -3.99747189049289e-12  2.64233551547607e-12 4.50773468253718e-12  -3.60529160757151e-12 -4.19562454795559e-12
-9.92072672672673e+00 4.91454285078836e-05  -1.03941302766295e+01   -9.54676412698178e+00 -9.54676412698178e+00  -1.17109897518047e+01 -1.17109897518047e+01  1.46205460555819e-03 6.25107723798012e-04  -1.28188216712889e-03 1.07285101422830e-03  1.26112177322033e-03 1.50144710264595e-03  1.20287233411659e-08 1.90784889643837e-08  -5.09091789260910e-09 2.44087776312966e-08  1.91459709664964e-08 2.65076847023300e-08  -2.01564819720457e-12 -4.15910027362940e-12  2.74917214342710e-12 4.68999434271822e-12  -3.75106310246475e-12 -4.36526476818868e-12
-9.90751451451452e+00 4.97990567680065e-05  -1.03941302766295e+01   -9.54676412813929e+00 -9.54676412813929e+00  -1.17109897565440e+01 -1.17109897565440e+01  1.48149975517290e-03 6.33421581001168e-04  -1.29893104507999e-03 1.08711980309979e-03  1.27789454044428e-03 1.52141616771590e-03  1.23508121966284e-08 1.95893468917151e-08  -5.22723559399992e-09 2.50623628063873e-08  1.96586358359113e-08 2.72174715676870e-08  -2.09714619594522e-12 -4.32726372065255e-12  2.86032845939112e-12 4.87962324399488e-12  -3.90272852522792e-12 -4.54176399211438e-12
-9.89430230230230e+00 5.04613782050006e-05  -1.03941302766295e+01   -9.54676412932786e+00 -9.54676412932786e+00  -1.17109897614103e+01 -1.17109897614103e+01  1.50120352292944e-03 6.41846011501186e-04  -1.31620667104912e-03 1.10157836514027e-03  1.29489038344717e-03 1.54165081894018e-03  1.26815255110434e-08 2.01138838804302e-08  -5.36720342608833e-09 2.57334487997150e-08  2.01850281505911e-08 2.79462641440354e-08  -2.18193937476568e-12 -4.50222646151422e-12  2.97597911980241e-12 5.07691934431433e-12  -4.06052618298463e-12 -4.72539954742937e-12
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3.04045345345345e+00 2.09147249394263e+01  -5.25945238690047e-01   0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  -6.85260116463222e-16 -2.01869503527310e-17  7.16406964258549e-16 -1.69876203133900e-17  1.59256507958237e-16 1.40702063636927e-17  -9.84471335261990e-08 -9.54469416742328e-08  1.26464309662678e-07 -8.68978155666018e-08  5.43323982944802e-08 3.09824194916672e-08  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.05366566566567e+00 2.11928882536583e+01  -5.19042042246334e-01   0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  -4.95032310706859e-16 -1.40822904048912e-17  5.17533539621816e-16 -1.18503457068599e-17  1.15042069536868e-16 9.81487344643278e-18  -9.35229342402998e-08 -9.00635405552952e-08  1.20144542474658e-07 -8.19941256380238e-08  5.16001977131555e-08 2.92211983724246e-08  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.06687787787788e+00 2.14747511063547e+01  -5.12229452423659e-01   0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  -3.53229741869654e-16 -9.69882598375769e-18  3.69285980082881e-16 -8.16155370679661e-18  8.20846730322823e-17 6.75946759015306e-18  -8.80877819102853e-08 -8.42510580227389e-08  1.13167655930931e-07 -7.67001394395475e-08  4.85878886514080e-08 2.73226496921412e-08  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.08009009009009e+00 2.17603627009299e+01  -5.05506279981668e-01   0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  -2.49140616609212e-16 -6.59969051316194e-18  2.60465785006283e-16 -5.55358305103061e-18  5.78937051691481e-17 4.59937833905848e-18  -8.23263800321122e-08 -7.81957962883290e-08  1.05770853630235e-07 -7.11854932346894e-08  4.53975712840176e-08 2.53473654748743e-08  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
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3.10651451451452e+00 2.23430322100756e+01  -4.92323508120818e-01   0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  -1.20016617855913e-16 -2.95480461286949e-18  1.25472535932509e-16 -2.48639871260252e-18  2.78864568529939e-17 2.05906446980583e-18  -7.04538381130565e-08 -6.59753964431542e-08  9.05255220846392e-08 -6.00572595371265e-08  3.88300649530359e-08 2.13671971844817e-08  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.11972672672673e+00 2.26401918384019e+01  -4.85861607450550e-01   0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  -8.13973651935875e-17 -1.93056071163928e-18  8.50977553839943e-17 -1.62450979314177e-18  1.89124637189711e-17 1.34527365374107e-18  -6.40718709906194e-08 -5.95649521717528e-08  8.23284283081844e-08 -5.42205960853712e-08  3.53050712780001e-08 1.92841232043873e-08  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.13293893893894e+00 2.29413036538743e+01  -4.79484521256464e-01   0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  -5.41737349815572e-17 -1.23717630022217e-18  5.66365612811547e-17 -1.04104181110950e-18  1.25868242823595e-17 8.62081913626087e-19  -5.74150850063731e-08 -5.29842670477669e-08  7.37768565787868e-08 -4.82295384920263e-08  3.16320370659189e-08 1.71491133618369e-08  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.14615115115115e+00 2.32464202201044e+01  -4.73191136321902e-01   0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  -3.50073107957837e-17 -7.69400210269203e-19  3.65988073160531e-17 -6.47423283384549e-19  8.13361426139846e-18 5.36125801141842e-19  -5.01653680429272e-08 -4.59486561829510e-08  6.44615939165454e-08 -4.18251182848028e-08  2.76368265099614e-08 1.48709674128825e-08  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.15936336336336e+00 2.35555947997932e+01  -4.66980354041530e-01   0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  -2.24371214610378e-17 -4.74339591063917e-19  2.34571572312099e-17 -3.99139769552589e-19  5.21302986459627e-18 3.30523283131902e-19  -4.36612999281578e-08 -3.96883261985223e-08  5.61042386855487e-08 -3.61265021313325e-08  2.40530014426147e-08 1.28442843311885e-08  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.17257557557557e+00 2.38688813640294e+01  -4.60851090229550e-01   0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  -1.42919069712354e-17 -2.90479685880670e-19  1.49416470696319e-17 -2.44428045464480e-19  3.32056227886558e-18 2.02407614586914e-19  -3.79347090790957e-08 -3.42175622216433e-08  4.87458451843870e-08 -3.11466290281577e-08  2.08977069014590e-08 1.10733307367575e-08  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.18578778778779e+00 2.41863346017104e+01  -4.54802274930447e-01   0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  -9.04770079057865e-18 -1.76700723630441e-19  9.45902935935600e-18 -1.48687089016179e-19  2.10212312202625e-18 1.23125469276361e-19  -3.29079477220386e-08 -2.94515655871910e-08  4.22866590814958e-08 -2.68083010098737e-08  1.81281112808201e-08 9.53061026904538e-09  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.19900000000000e+00 2.45080099290896e+01  -4.48832852218736e-01   0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  -5.69279822986015e-18 -1.06774638829306e-19  5.95160613682808e-18 -8.98468217495292e-20  1.32264790205923e-18 7.44005657833295e-20  -2.85088136617529e-08 -2.53123602805029e-08  3.66339184359990e-08 -2.30405327351561e-08  1.57043957621566e-08 8.19084720096496e-09  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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3.08009009009009e+00 2.17603627009299e+01  2.08820086799852e-17
3.09330230230230e+00 2.20497728951978e+01  1.55209433608592e-17
3.10651451451452e+00 2.23430322100756e+01  1.15089613959646e-17
3.11972672672673e+00 2.26401918384019e+01  8.51310352803334e-18
3.13293893893894e+00 2.29413036538743e+01  6.28086573167482e-18
3.14615115115115e+00 2.32464202201044e+01  4.62136396983876e-18
3.15936336336336e+00 2.35555947997932e+01  3.39053148367313e-18
3.17257557557557e+00 2.38688813640294e+01  2.47993634408768e-18
3.18578778778779e+00 2.41863346017104e+01  1.80800742491478e-18
3.19900000000000e+00 2.45080099290896e+01  1.31355187490417e-18
density.PCC>