openmx-data 3.7.6-2 / usr / share / openmx / DFT_DATA13 / VPS / Sb_PBE13.vps

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

#
# File Name
#

System.CurrrentDir    ./             # default=./
System.Name           Sb_PBE13
Log.print             OFF            # ON|OFF

System.UseRestartfile  yes           # NO|YES, default=NO
System.Restartfile    Sb_PBE13       # default=null

#
# Calculation type
#

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

#
# Atom
#

AtomSpecies             51
max.occupied.N           5
total.electron        51.0
valence.electron      15.0 
<occupied.electrons 
 1   2.0
 2   2.0  6.0
 3   2.0  6.0  10.0
 4   2.0  6.0  10.0  0.0
 5   2.0  3.0   0.0  0.0  0.0
occupied.electrons>

#
# parameters for solving 1D-differential equations
#

grid.xmin             -9.0           # 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        500           # default=2000

#
# SCF
#

scf.maxIter             70           # 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  0.700         # 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              7
<pseudo.NandL
 0  4  2  1.40  0.0 
 1  4  3  1.20  0.0  
 2  5  0  2.00  0.0  
 3  5  1  2.00  0.0
 4  5  2  2.20  0.0 
 5  6  0  2.50 -0.7  
 6  6  1  2.50  0.1
pseudo.NandL> 
Blochl.projector.num    4            # default=1 which means KB-form
local.type           polynomial      # Simple|Polynomial
local.part.vps          1            # default=0
local.cutoff           1.50          # default=smallest_cutoff_vps
local.origin.ratio     2.20          # 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             80          # default=50
<log.deri.R
 0  3.0 3.0
 1  3.0 3.0
 2  2.8 2.8
 3  2.8 2.8
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              0.5           # default=1.0     
pcc.ratio.origin       8.0           # default=6.0     

#
# Pseudo atomic orbitals
#

maxL.pao                3            # default=2
num.pao                15            # default=7 
radial.cutoff.pao      7.0           # default=5.0 (Bohr)
height.of.wall    20000.0            # 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       50.000           # default=20.000 (Hartree)
num.of.partition     2000            # default=300
matching.point.ratio  0.67           # default=0.67









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


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

                         j=l+1/2                j=l-1/2
 n=  1  l=  0     -1110.6029114610560    -1110.6029114610560
 n=  2  l=  0      -168.8717018853293     -168.8717018853293
 n=  2  l=  1      -148.8242919376482     -158.0494013787087
 n=  3  l=  0       -33.0855972154873      -33.0855972154873
 n=  3  l=  1       -26.9462725562992      -28.6477954094649
 n=  3  l=  2       -18.7249687112491      -19.0782075757243
 n=  4  l=  0        -5.4390383245514       -5.4390383245514
 n=  4  l=  1        -3.6232351703332       -3.9373952598876
 n=  4  l=  2        -1.2002272766607       -1.2455859469185
 n=  5  l=  0        -0.4669957748033       -0.4669957748033
 n=  5  l=  1        -0.1682244974760       -0.1903652323157


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

 Eeigen =    -3948.8004966069302
 Ekin   =     6868.1660533055474
 EHart  =     2594.7004489178080
 Exc    =     -169.5109503466833
 Eec    =   -15786.0995806798801
 Etot   = Ekin + EHart + Exc + Eec
 Etot   =    -6492.7440288032085


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

j.dependent.pseudo.potentials   on

<VPS> L=0, dif of log deris for all electrons =    1.2628835357    1.2628835357
<VPS> L=0, dif of log deris for semi local    =    0.8126410713    0.8126410713
<VPS> L=1, dif of log deris for all electrons =   87.2289893019    6.0255272740
<VPS> L=1, dif of log deris for semi local    = 4411.7201149357   21.0455757717
<VPS> L=2, dif of log deris for all electrons =   21.0955161683  454.0207997234
<VPS> L=2, dif of log deris for semi local    =   79.7921125799  257.1868041175
<VPS> L=3, dif of log deris for all electrons =    0.0439252629    0.0581156515
<VPS> L=3, dif of log deris for semi local    =    1.8284936366    2.4368871575

<project.energies
10
 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
 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
 3   -1.00000000000000e+00  -1.00000000000000e+00
project.energies>

<Pseudo.Potentials
-9.00000000000000e+00 1.23409804086680e-04  -2.19889575441090e+01   2.68821257419527e+00 2.68821257419527e+00  2.64639075867468e+00 2.64639075867468e+00  2.91899093657129e-03 2.39028848060615e-03  3.82186197555052e-04 4.14492944124346e-04  9.16041330757906e-07 9.52824727401228e-07  -1.77480484114437e-06 -1.84042866818612e-06  -6.30416934401402e-10 -6.33834443197888e-10  1.53630231275728e-09 1.54326632879502e-09  -2.72367742830766e-09 -2.73493682469114e-09  4.14098849615627e-09 4.15722816843160e-09
-8.97555310621243e+00 1.26463970795229e-04  -2.19889575441090e+01   2.68821262496590e+00 2.68821262496590e+00  2.64639075964863e+00 2.64639075964863e+00  2.99123053331000e-03 2.44944367219833e-03  3.91644610510250e-04 4.24750889277827e-04  9.61943069377460e-07 1.00056963813416e-06  -1.86373817689569e-06 -1.93265033484350e-06  -6.78389820838461e-10 -6.82067392063175e-10  1.65321042921245e-09 1.66070438650950e-09  -2.93094132118007e-09 -2.94305752470690e-09  4.45610561946855e-09 4.47358108331931e-09
-8.95110621242485e+00 1.29593722538150e-04  -2.19889575441090e+01   2.68821267828081e+00 2.68821267828081e+00  2.64639076067145e+00 2.64639076067145e+00  3.06525792135934e-03 2.51006284099353e-03  4.01337102195379e-04 4.35262700071319e-04  1.01014488924178e-06 1.05070698926032e-06  -1.95712785390650e-06 -2.02949311700809e-06  -7.30013303630325e-10 -7.33970727272923e-10  1.77901491141642e-09 1.78707913695140e-09  -3.15397739012859e-09 -3.16701560131416e-09  4.79520223426090e-09 4.81400752980820e-09
-8.92665931863727e+00 1.32800929906659e-04  -2.19889575441090e+01   2.68821273426751e+00 2.68821273426751e+00  2.64639076174561e+00 2.64639076174561e+00  3.14111734479030e-03 2.57218221732981e-03  4.11269465655269e-04 4.46034659235786e-04  1.06076204465830e-06 1.10335666309285e-06  -2.05519717389038e-06 -2.13118857302457e-06  -7.85565182469728e-10 -7.89823754480061e-10  1.91439274675185e-09 1.92307063626821e-09  -3.39398585156756e-09 -3.40801623249530e-09  5.16010310961665e-09 5.18033943315890e-09
-8.90221242484970e+00 1.36087509785682e-04  -2.19889575441090e+01   2.68821279305980e+00 2.68821279305980e+00  2.64639076287368e+00 2.64639076287368e+00  3.21885414259623e-03 2.63583892814795e-03  4.21447637303865e-04 4.57073204989876e-04  1.11391556518788e-06 1.15864454910200e-06  -2.15818062791894e-06 -2.23797986432450e-06  -8.45344396790875e-10 -8.49927033678128e-10  2.06007243935473e-09 2.06941069088469e-09  -3.65225825485870e-09 -3.66735630674075e-09  5.55277187419194e-09 5.57454812276906e-09
-8.87776553106212e+00 1.39455426499535e-04  -2.19889575441090e+01   2.68821285479829e+00 2.68821285479829e+00  2.64639076405834e+00 2.64639076405834e+00  3.29851477578737e-03 2.70107101917842e-03  4.31877700472559e-04 4.68384934888119e-04  1.16973254503560e-06 1.21670284492639e-06  -2.26632445710472e-06 -2.35012233684056e-06  -9.09672634441549e-10 -9.14603996594038e-10  2.21683793038770e-09 2.22688679554674e-09  -3.93018443247953e-09 -3.94643140194871e-09  5.97532158302052e-09 5.99875494041753e-09
-8.85331863727455e+00 1.42906692985967e-04  -2.19889575441090e+01   2.68821291963065e+00 2.68821291963065e+00  2.64639076530244e+00 2.64639076530244e+00  3.38014685515568e-03 2.76791747767701e-03  4.42565889046184e-04 4.79976609764278e-04  1.22834644694255e-06 1.27767037246747e-06  -2.37988724137869e-06 -2.46788413155446e-06  -9.78896062770349e-10 -9.84202687159598e-10  2.38553281663440e-09 2.39634637103847e-09  -4.22925997907886e-09 -4.24674329539829e-09  6.43002608842060e-09 6.45524265576465e-09
-8.82887174348697e+00 1.46443371999250e-04  -2.19889575441090e+01   2.68821298771184e+00 2.68821298771184e+00  2.64639076660895e+00 2.64639076660895e+00  3.46379916972647e-03 2.83641825572318e-03  4.53518591189232e-04 4.91855157772413e-04  1.28989742130524e-06 1.34169290982307e-06  -2.49914051777099e-06 -2.59154682563823e-06  -1.05338719144457e-09 -1.05909763442777e-09  2.56706489011645e-09 2.57870132437715e-09  -4.55109429966638e-09 -4.56990804520946e-09  6.91933227619460e-09 6.94646775053835e-09
-8.80442484969940e+00 1.50067577343047e-04  -2.19889575441090e+01   2.68821305920465e+00 2.68821305920465e+00  2.64639076798099e+00 2.64639076798099e+00  3.54952171591405e-03 2.90661429409458e-03  4.64742353164045e-04 5.04027678527834e-04  1.35453264128570e-06 1.40892353985372e-06  -2.62436942967194e-06 -2.72140610572230e-06  -1.13354687702301e-09 -1.13969186801230e-09  2.76241102316180e-09 2.77493295602543e-09  -4.89741927024560e-09 -4.91766468677805e-09  7.44587323296703e-09 7.47507363751033e-09
-8.77997795591182e+00 1.53781475133792e-04  -2.19889575441090e+01   2.68821313428009e+00 2.68821313428009e+00  2.64639076942186e+00 2.64639076942186e+00  3.63736572739853e-03 2.97854754673235e-03  4.76243883243741e-04 5.16501447350698e-04  1.42240665471343e-06 1.47952301621519e-06  -2.75587340862687e-06 -2.85777247489950e-06  -1.21980648007073e-09 -1.22641908689630e-09  2.97262242521221e-09 2.98609724052774e-09  -5.27009855749511e-09 -5.29188459098362e-09  8.01248241551767e-09 8.04390488539684e-09
-8.75553106212425e+00 1.57587285095337e-04  -2.19889575441090e+01   2.68821321311759e+00 2.68821321311759e+00  2.64639077093499e+00 2.64639077093499e+00  3.72738370574180e-03 3.05226100581149e-03  4.88030055721814e-04 5.29283919614463e-04  1.49368175362077e-06 1.55366014773241e-06  -2.89396689029443e-06 -3.00097199515607e-06  -1.31263018642397e-09 -1.31974599328079e-09  3.19883029965831e-09 3.21333050898767e-09  -5.67113764765013e-09 -5.69458153452934e-09  8.62220889835917e-09 8.65602252623268e-09
-8.73108416833667e+00 1.61487281885631e-04  -2.19889575441090e+01   2.68821329590575e+00 2.68821329590575e+00  2.64639077252401e+00 2.64639077252401e+00  3.81962945176091e-03 3.12779872743158e-03  5.00107915021115e-04 5.42382735202174e-04  1.56852836229522e-06 1.63151220203390e-06  -3.03898006628009e-06 -3.15134706700450e-06  -1.41251750509634e-09 -1.42017480403207e-09  3.44225193114278e-09 3.45785556396469e-09  -6.10269463855182e-09 -6.12792253660448e-09  9.27833378160966e-09 9.31472052759024e-09
-8.70663727454910e+00 1.65483796456247e-04  -2.19889575441090e+01   2.68821338284246e+00 2.68821338284246e+00  2.64639077419271e+00 2.64639077419271e+00  3.91415809767743e-03 3.20520585794287e-03  5.12484679904447e-04 5.55805723072850e-04  1.64712544477642e-06 1.71326532941170e-06  -3.19125967364290e-06 -3.30925724818218e-06  -1.52000595626820e-09 -1.52824595324281e-09  3.70419723608936e-09 3.72098825969649e-09  -6.56709185293968e-09 -6.59423952018488e-09  9.98438784745592e-09 1.00235435182858e-08
-8.68219038076152e+00 1.69579217445540e-04  -2.19889575441090e+01   2.68821347413562e+00 2.68821347413562e+00  2.64639077594509e+00 2.64639077594509e+00  4.01102614006224e-03 3.28452866092367e-03  5.25167747789421e-04 5.69560905941040e-04  1.72966093277242e-06 1.79911500792049e-06  -3.35116982396265e-06 -3.47508011337369e-06  -1.63567396382415e-09 -1.64454100045005e-09  3.98607581170753e-09 4.00414458305660e-09  -7.06682833548079e-09 -7.09604186072355e-09  1.07441705602205e-08 1.07863058629589e-08
-8.65774348697395e+00 1.73775992606291e-04  -2.19889575441090e+01   2.68821357000355e+00 2.68821357000355e+00  2.64639077778533e+00 2.64639077778533e+00  4.11029147359512e-03 3.36581454482499e-03  5.38164699170148e-04 5.83656505072168e-04  1.81633217501810e-06 1.88926651077986e-06  -3.51909287395035e-06 -3.64921215701219e-06  -1.76014396800383e-09 -1.76968576015975e-09  4.28940452140532e-09 4.30884827335169e-09  -7.60459330078553e-09 -7.63602988975911e-09  1.15617705122771e-08 1.16071121881707e-08
-8.63329659318637e+00 1.78076630268681e-04  -2.19889575441090e+01   2.68821367067540e+00 2.68821367067540e+00  2.64639077971785e+00 2.64639077971785e+00  4.21201342565949e-03 3.44911209129904e-03  5.51483302148295e-04 5.98100945196489e-04  1.90734640915052e-06 1.98393539719765e-06  -3.69543033968312e-06 -3.83206974131809e-06  -1.89408577491633e-09 -1.90435366951900e-09  4.61581565742962e-09 4.63673902196279e-09  -8.18328060477755e-09 -8.21710942610882e-09  1.24415874258402e-08 1.24903794704767e-08
-8.60884969939880e+00 1.82483700839471e-04  -2.19889575441090e+01   2.68821377639198e+00 2.68821377639198e+00  2.64639078174727e+00 2.64639078174727e+00  4.31625279179285e-03 3.53447108422839e-03  5.65131517076385e-04 6.12902859544808e-04  2.00292125722912e-06 2.08334802778767e-06  -3.88060385664973e-06 -4.02409009184269e-06  -2.03822016094247e-09 -2.04926941225793e-09  4.96706572465881e-09 4.98958129595469e-09  -8.80600431729136e-09 -8.84240741284154e-09  1.33883558290234e-08 1.34408608053362e-08
-8.58440280561122e+00 1.86999838338283e-04  -2.19889575441090e+01   2.68821388740599e+00 2.68821388740599e+00  2.64639078387842e+00 2.64639078387842e+00  4.42307187201402e-03 3.62194253947314e-03  5.79117501315985e-04 6.28071095008768e-04  2.10328524608588e-06 2.18774210581434e-06  -4.07505618790186e-06 -4.22573234289580e-06  -2.19332275142144e-09 -2.20521281840268e-09  5.34504489281581e-09 5.36927383313547e-09  -9.47611547969818e-09 -9.51528874417779e-09  1.44071705335762e-08 1.44636709847645e-08
-8.55995591182365e+00 1.91627741971902e-04  -2.19889575441090e+01   2.68821400398292e+00 2.68821400398292e+00  2.64639078611641e+00 2.64639078611641e+00  4.53253450804897e-03 3.71157873535382e-03  5.93449614113718e-04 6.43614717428884e-04  2.20867835374947e-06 2.29736724555832e-06  -4.27925228272209e-06 -4.43747863535822e-06  -2.36022819449374e-09 -2.37302306074502e-09  5.75178716796618e-09 5.77785985966180e-09  -1.01972201377367e-08 -1.02393743728665e-08  1.55035140513999e-08 1.55643140213673e-08
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3.02787174348697e+00 2.06532304099010e+01  -7.26278635528104e-01   0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.05231863727455e+00 2.11643600499547e+01  -7.08738651491152e-01   0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.07676553106212e+00 2.16881392128074e+01  -6.91622266637577e-01   0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.10121242484970e+00 2.22248809509891e+01  -6.74919250839525e-01   0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.12565931863728e+00 2.27749060645070e+01  -6.58619621031779e-01   0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.15010621242485e+00 2.33385432925810e+01  -6.42713635245069e-01   0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.17455310621243e+00 2.39161295101248e+01  -6.27191786783481e-01   0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.19900000000000e+00 2.45080099290896e+01  -6.12044798543033e-01   0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  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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-8.97555310621243e+00 1.26463970795229e-04  1.68400803911972e+00
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1.16990781563126e+00 3.22169563486080e+00  1.16974822463123e-06
1.19435470941884e+00 3.30142670344074e+00  7.48371141118195e-07
1.21880160320641e+00 3.38313096999386e+00  4.79053772640761e-07
1.24324849699399e+00 3.46685726755740e+00  3.08065119955664e-07
1.26769539078156e+00 3.55265563769686e+00  2.00037396114371e-07
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1.80552705410822e+00 6.08317676706408e+00  8.87861586757337e-10
1.82997394789579e+00 6.23372425477536e+00  7.10856859572019e-10
1.85442084168337e+00 6.38799751718036e+00  5.66844845984759e-10
1.87886773547094e+00 6.54608876038150e+00  4.50094754443840e-10
1.90331462925852e+00 6.70809247241338e+00  3.55802376301501e-10
1.92776152304609e+00 6.87410547971650e+00  2.79951351698925e-10
1.95220841683367e+00 7.04422700500848e+00  2.19192997284631e-10
1.97665531062124e+00 7.21855872658753e+00  1.70742724503656e-10
2.00110220440882e+00 7.39720483910361e+00  1.32291270495615e-10
2.02554909819639e+00 7.58027211583347e+00  1.01929022220242e-10
2.04999599198397e+00 7.76786997249700e+00  7.80817637502240e-11
2.07444288577154e+00 7.96011053265283e+00  5.94562649454470e-11
2.09888977955912e+00 8.15710869471238e+00  4.49942625594789e-11
2.12333667334669e+00 8.35898220061240e+00  3.38335493919090e-11
2.14778356713427e+00 8.56585170618702e+00  2.52750648874049e-11
2.17223046092184e+00 8.77784085328133e+00  1.87550554362253e-11
2.19667735470942e+00 8.99507634364975e+00  1.38215287120126e-11
2.22112424849699e+00 9.21768801468314e+00  1.01143622861144e-11
2.24557114228457e+00 9.44580891701008e+00  7.34853686242861e-12
2.27001803607215e+00 9.67957539401861e+00  5.30005172380140e-12
2.29446492985972e+00 9.91912716334599e+00  3.79414779634640e-12
2.31891182364730e+00 1.01646074003852e+01  2.69551626683694e-12
2.34335871743487e+00 1.04161628238582e+01  1.90021205197315e-12
2.36780561122245e+00 1.06739437835064e+01  1.32902489305884e-12
2.39225250501002e+00 1.09381043499523e+01  9.22089234890969e-13
2.41669939879760e+00 1.12088024067842e+01  6.34539094862845e-13
2.44114629258517e+00 1.14861997449201e+01  4.33036846814269e-13
2.46559318637275e+00 1.17704621593069e+01  2.93025981037447e-13
2.49004008016032e+00 1.20617595480132e+01  1.96577618550697e-13
2.51448697394790e+00 1.23602660137734e+01  1.30718896885875e-13
2.53893386773547e+00 1.26661599680460e+01  8.61482345090430e-14
2.56338076152305e+00 1.29796242376465e+01  5.62578180797021e-14
2.58782765531062e+00 1.33008461740193e+01  3.63973667971531e-14
2.61227454909820e+00 1.36300177652139e+01  2.33252792227504e-14
2.63672144288577e+00 1.39673357506328e+01  1.48036832228900e-14
2.66116833667335e+00 1.43130017386184e+01  9.30276195030761e-15
2.68561523046092e+00 1.46672223269502e+01  5.78712908170856e-15
2.71006212424850e+00 1.50302092263250e+01  3.56311806409866e-15
2.73450901803607e+00 1.54021793868913e+01  2.17078248775814e-15
2.75895591182365e+00 1.57833551279168e+01  1.30834200007145e-15
2.78340280561122e+00 1.61739642706641e+01  7.79904540320805e-16
2.80784969939880e+00 1.65742402745547e+01  4.59694757611146e-16
2.83229659318637e+00 1.69844223767035e+01  2.67851888809409e-16
2.85674348697395e+00 1.74047557349061e+01  1.54241906349128e-16
2.88119038076152e+00 1.78354915741645e+01  8.77554884722434e-17
2.90563727454910e+00 1.82768873368397e+01  4.93160594735719e-17
2.93008416833667e+00 1.87292068365197e+01  2.73664661122860e-17
2.95453106212425e+00 1.91927204156958e+01  1.49911691618582e-17
2.97897795591182e+00 1.96677051073412e+01  8.10410042373877e-18
3.00342484969940e+00 2.01544448004876e+01  4.32203665981708e-18
3.02787174348697e+00 2.06532304099010e+01  2.27323068569137e-18
3.05231863727455e+00 2.11643600499547e+01  1.17874990650933e-18
3.07676553106212e+00 2.16881392128074e+01  6.02376034269539e-19
3.10121242484970e+00 2.22248809509891e+01  3.03260908987478e-19
3.12565931863728e+00 2.27749060645070e+01  1.50344251363751e-19
3.15010621242485e+00 2.33385432925810e+01  7.33616370993966e-20
3.17455310621243e+00 2.39161295101248e+01  3.52127598101269e-20
3.19900000000000e+00 2.45080099290896e+01  1.66115829637884e-20
density.PCC>