openmx-data 3.7.6-1 / usr / share / openmx / DFT_DATA13 / VPS / B_CA13.vps

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

#
# File Name
#

System.CurrrentDir    ./             # default=./
System.Name            B_CA13
Log.print              OFF           # ON|OFF

System.UseRestartfile  yes           # NO|YES, default=NO
System.Restartfile     B_CA13       # default=null

#
# Calculation type
#

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

#
# Atom
#

AtomSpecies             5
max.occupied.N           2
total.electron         5.0
valence.electron       3.0 
<occupied.electrons 
 1   2.0
 2   2.0  1.0 
occupied.electrons>


#
# parameters for solving 1D-differential equations
#

grid.xmin             -7.6           # default=-7.0 rmin(a.u.)=exp(grid.xmin)
grid.xmax              3.0           # default= 2.5 rmax(a.u.)=exp(grid.xmax)
grid.num              9000           # default=4000
grid.num.output        500           # 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  0.800         # 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              4
<pseudo.NandL
 0  2  0  1.10  0.0   
 1  2  1  0.90  0.0  
 2  3  0  2.10  0.0   
 3  3  2  0.90  0.0  
pseudo.NandL> 
Blochl.projector.num     5           # default=1 which means KB-form
local.type            Polynomial     # Simple|Polynomial
local.part.vps          1            # default=0
local.cutoff           1.00          # default=smallest_cutoff_vps
local.origin.ratio     2.20          # default=3.0
log.deri.RadF.calc       on          # ON|OFF
log.deri.MinE          -3.0          # default=-3.0 (Hartree)
log.deri.MaxE           2.0          # default= 2.0 (Hartree) 
log.deri.num             70          # default=50
<log.deri.R
 0  2.2 2.2
 1  2.2 2.2
 2  2.2 2.2
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              0.15          # default=1.0     
pcc.ratio.origin       6.0           # default=6.0     

#
# Pseudo atomic orbitals
#

maxL.pao                3            # default=2
num.pao                15            # default=7 
radial.cutoff.pao      6.0           # 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  0.75           # default=0.67













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

 SCF=   1  Eeigen=-13.8414127462899 (Hartree)  NormRD=  0.0003033103946
 SCF=   2  Eeigen=-13.9564258238729 (Hartree)  NormRD=  0.0000335135150
 SCF=   3  Eeigen=-13.9564174177627 (Hartree)  NormRD=  0.0000334632830
 SCF=   4  Eeigen=-13.9597752948383 (Hartree)  NormRD=  0.0000018042843
 SCF=   5  Eeigen=-13.9580944337333 (Hartree)  NormRD=  0.0000000478072
 SCF=   6  Eeigen=-13.9583936540161 (Hartree)  NormRD=  0.0000000023628
 SCF=   7  Eeigen=-13.9582760210620 (Hartree)  NormRD=  0.0000000000872
 SCF=   8  Eeigen=-13.9583061640847 (Hartree)  NormRD=  0.0000000000056
 SCF=   9  Eeigen=-13.9583053104803 (Hartree)  NormRD=  0.0000000000047
 SCF=  10  Eeigen=-13.9583052996163 (Hartree)  NormRD=  0.0000000000047
 SCF=  11  Eeigen=-13.9583052887698 (Hartree)  NormRD=  0.0000000000047
 SCF=  12  Eeigen=-13.9583052779407 (Hartree)  NormRD=  0.0000000000046
 SCF=  13  Eeigen=-13.9583052671289 (Hartree)  NormRD=  0.0000000000046
 SCF=  14  Eeigen=-13.9583052563342 (Hartree)  NormRD=  0.0000000000046
 SCF=  15  Eeigen=-13.9583052455570 (Hartree)  NormRD=  0.0000000000046
 SCF=  16  Eeigen=-13.9583052347969 (Hartree)  NormRD=  0.0000000000046
 SCF=  17  Eeigen=-13.9583052240541 (Hartree)  NormRD=  0.0000000000046
 SCF=  18  Eeigen=-13.9583052133285 (Hartree)  NormRD=  0.0000000000046
 SCF=  19  Eeigen=-13.9583052026200 (Hartree)  NormRD=  0.0000000000046
 SCF=  20  Eeigen=-13.9583051919286 (Hartree)  NormRD=  0.0000000000046
 SCF=  21  Eeigen=-13.9583051812543 (Hartree)  NormRD=  0.0000000000045
 SCF=  22  Eeigen=-13.9583051705970 (Hartree)  NormRD=  0.0000000000045
 SCF=  23  Eeigen=-13.9583051599569 (Hartree)  NormRD=  0.0000000000045
 SCF=  24  Eeigen=-13.9583051493337 (Hartree)  NormRD=  0.0000000000045
 SCF=  25  Eeigen=-13.9583051387275 (Hartree)  NormRD=  0.0000000000045
 SCF=  26  Eeigen=-13.9583051281383 (Hartree)  NormRD=  0.0000000000045
 SCF=  27  Eeigen=-13.9583051175660 (Hartree)  NormRD=  0.0000000000045
 SCF=  28  Eeigen=-13.9583051070106 (Hartree)  NormRD=  0.0000000000045
 SCF=  29  Eeigen=-13.9583050964721 (Hartree)  NormRD=  0.0000000000045
 SCF=  30  Eeigen=-13.9583050859504 (Hartree)  NormRD=  0.0000000000044
 SCF=  31  Eeigen=-13.9583050754456 (Hartree)  NormRD=  0.0000000000044
 SCF=  32  Eeigen=-13.9583050649575 (Hartree)  NormRD=  0.0000000000044
 SCF=  33  Eeigen=-13.9583050544862 (Hartree)  NormRD=  0.0000000000044
 SCF=  34  Eeigen=-13.9583050440317 (Hartree)  NormRD=  0.0000000000044
 SCF=  35  Eeigen=-13.9583050335939 (Hartree)  NormRD=  0.0000000000044
 SCF=  36  Eeigen=-13.9583050231728 (Hartree)  NormRD=  0.0000000000044
 SCF=  37  Eeigen=-13.9583050127683 (Hartree)  NormRD=  0.0000000000044
 SCF=  38  Eeigen=-13.9583050023804 (Hartree)  NormRD=  0.0000000000044
 SCF=  39  Eeigen=-13.9583049920092 (Hartree)  NormRD=  0.0000000000043
 SCF=  40  Eeigen=-13.9583049816546 (Hartree)  NormRD=  0.0000000000043
 SCF=  41  Eeigen=-13.9583049713164 (Hartree)  NormRD=  0.0000000000043
 SCF=  42  Eeigen=-13.9583049609949 (Hartree)  NormRD=  0.0000000000043
 SCF=  43  Eeigen=-13.9583049506898 (Hartree)  NormRD=  0.0000000000043
 SCF=  44  Eeigen=-13.9583049404012 (Hartree)  NormRD=  0.0000000000043
 SCF=  45  Eeigen=-13.9583049301291 (Hartree)  NormRD=  0.0000000000043
 SCF=  46  Eeigen=-13.9583049198733 (Hartree)  NormRD=  0.0000000000043
 SCF=  47  Eeigen=-13.9583049096340 (Hartree)  NormRD=  0.0000000000043
 SCF=  48  Eeigen=-13.9583048994111 (Hartree)  NormRD=  0.0000000000042
 SCF=  49  Eeigen=-13.9583048892044 (Hartree)  NormRD=  0.0000000000042
 SCF=  50  Eeigen=-13.9583048790142 (Hartree)  NormRD=  0.0000000000042
 SCF=  51  Eeigen=-13.9583048688401 (Hartree)  NormRD=  0.0000000000042
 SCF=  52  Eeigen=-13.9583048586823 (Hartree)  NormRD=  0.0000000000042
 SCF=  53  Eeigen=-13.9583048485409 (Hartree)  NormRD=  0.0000000000042
 SCF=  54  Eeigen=-13.9583048384156 (Hartree)  NormRD=  0.0000000000042
 SCF=  55  Eeigen=-13.9583048283064 (Hartree)  NormRD=  0.0000000000042
 SCF=  56  Eeigen=-13.9583048182135 (Hartree)  NormRD=  0.0000000000042
 SCF=  57  Eeigen=-13.9583048081367 (Hartree)  NormRD=  0.0000000000041
 SCF=  58  Eeigen=-13.9583047980760 (Hartree)  NormRD=  0.0000000000041
 SCF=  59  Eeigen=-13.9583047880313 (Hartree)  NormRD=  0.0000000000041
 SCF=  60  Eeigen=-13.9583047780027 (Hartree)  NormRD=  0.0000000000000

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

                         j=l+1/2                j=l-1/2
 n=  1  l=  0        -6.5657090042180       -6.5657090042180
 n=  2  l=  0        -0.3450710093944       -0.3450710093944
 n=  2  l=  1        -0.1366838251075       -0.1368056764483


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

 Eeigen =      -13.9583047780027
 Ekin   =       24.1817285937122
 EHart  =       11.5060769165432
 Exc    =       -3.5241383205658
 Eec    =      -56.5143581503715
 Etot   = Ekin + EHart + Exc + Eec
 Etot   =      -24.3506909606819


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

j.dependent.pseudo.potentials   on

<VPS> L=0, dif of log deris for all electrons =    9.6237637397    9.6237637397
<VPS> L=0, dif of log deris for semi local    =   28.7561424280   28.7561424280
<VPS> L=1, dif of log deris for all electrons =    0.0034685669    0.0046447256
<VPS> L=1, dif of log deris for semi local    =    0.0002719467    0.0002694296
<VPS> L=2, dif of log deris for all electrons =    0.0000157531    0.0000203263
<VPS> L=2, dif of log deris for semi local    =    0.0000044751    0.0000045473

<project.energies
12
 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
 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
 2   -1.00000000000000e+00  -1.00000000000000e+00
 2    1.00000000000000e+00   1.00000000000000e+00
project.energies>

<Pseudo.Potentials
-7.60000000000000e+00 5.00451433440611e-04  -6.60088015647093e+00   -2.38366607056607e+00 -2.38366607056607e+00  5.48685630578141e+00 5.48685630578141e+00  -2.39665073080777e-02 -2.39923182144489e-02  4.67258973214290e-02 4.67597380096555e-02  -1.02186812711046e-01 -1.04067714990476e-01  1.30359603461154e-01 1.31882760236084e-01  -9.13429213260162e-02 -9.14406995111352e-02  -1.34072795827317e-05 -1.33695561814349e-05  3.60424646845303e-05 3.59201471546791e-05  -6.58361640061215e-05 -6.54252464714778e-05  1.32208968240257e-04 1.24678766074847e-04  4.83550084800128e-05 3.06499068106712e-05
-7.57875951903808e+00 5.11194957477971e-04  -6.60088015647093e+00   -2.38366751703197e+00 -2.38366751703197e+00  5.48685638255827e+00 5.48685638255827e+00  -2.44810116853906e-02 -2.45073766905962e-02  4.77289919883915e-02 4.77635591556484e-02  -1.04380521620588e-01 -1.06301802419105e-01  1.33158115450914e-01 1.34713970796205e-01  -9.33038366694924e-02 -9.34037139210134e-02  -1.39891042522638e-05 -1.39497437996042e-05  3.76065697107214e-05 3.74789440683617e-05  -6.86932011532197e-05 -6.82644513740499e-05  1.37946329386084e-04 1.30089345404174e-04  5.04534304267626e-05 3.19799954729731e-05
-7.55751903807615e+00 5.22169119897057e-04  -6.60088015647093e+00   -2.38366902631277e+00 -2.38366902631277e+00  5.48685646270599e+00 5.48685646270599e+00  -2.50065612317628e-02 -2.50334922309410e-02  4.87536206712353e-02 4.87889299132309e-02  -1.06621324107450e-01 -1.08583850253399e-01  1.36016704662191e-01 1.37605960536446e-01  -9.53068480154032e-02 -9.54088693951956e-02  -1.45961778781306e-05 -1.45551093323667e-05  3.92385508762760e-05 3.91053867697652e-05  -7.16742226797774e-05 -7.12268668056541e-05  1.43932669727936e-04 1.35734722869385e-04  5.26429157768723e-05 3.33678048658679e-05
-7.53627855711423e+00 5.33378871965530e-04  -6.60088015647093e+00   -2.38367060113340e+00 -2.38367060113340e+00  5.48685654637003e+00 5.48685654637003e+00  -2.55433930586328e-02 -2.55709022022776e-02  4.98002456494189e-02 4.98363128966583e-02  -1.08910231145536e-01 -1.10914888075768e-01  1.38936660793070e-01 1.40560034224086e-01  -9.73528590487283e-02 -9.74570705860185e-02  -1.52295961672251e-05 -1.51867454036793e-05  4.09413537415871e-05 4.08024108229190e-05  -7.47846090220423e-05 -7.43178396204726e-05  1.50178793976276e-04 1.41625087779294e-04  5.49274163246944e-05 3.48158398445993e-05
-7.51503807615230e+00 5.44829271243209e-04  -6.60088015647093e+00   -2.38367224433701e+00 -2.38367224433701e+00  5.48685663370219e+00 5.48685663370219e+00  -2.60917493674993e-02 -2.61198490669430e-02  5.08693391260930e-02 5.09061806510652e-02  -1.11248275410994e-01 -1.13295967570328e-01  1.41919301227154e-01 1.43577524635402e-01  -9.94427928532653e-02 -9.95492415654100e-02  -1.58905023757996e-05 -1.58457920530706e-05  4.27180516926567e-05 4.25730791836587e-05  -7.80299741054894e-05 -7.75429487045902e-05  1.56695975721430e-04 1.47771071616699e-04  5.73110553564653e-05 3.63267139651735e-05
-7.49379759519038e+00 5.56525483863916e-04  -6.60088015647093e+00   -2.38367395889017e+00 -2.38367395889017e+00  5.48685672486086e+00 5.48685672486086e+00  -2.66518775591829e-02 -2.66805804921943e-02  5.19613834411159e-02 5.19990158656344e-02  -1.13636511748048e-01 -1.15728162997307e-01  1.44965971627820e-01 1.46659793156879e-01  -1.01577592328015e-01 -1.01686326241708e-01  -1.65800893729134e-05 -1.65334387932834e-05  4.45718514881962e-05 4.44205877279018e-05  -8.14161754772592e-05 -8.09080150451897e-05  1.63495977780885e-04 1.54183767226765e-04  5.97981350923222e-05 3.79031542015195e-05
-7.47255711422846e+00 5.68472786866306e-04  -6.60088015647092e+00   -2.38367574788829e+00 -2.38367574788829e+00  5.48685682001132e+00 5.48685682001132e+00  -2.72240303454306e-02 -2.72533494619355e-02  5.30768712886381e-02 5.31153115913402e-02  -1.16076017644822e-01 -1.18212571677632e-01  1.48078046545231e-01 1.49808230399306e-01  -1.03758220612474e-01 -1.03869288785415e-01  -1.72996017934257e-05 -1.72509267572093e-05  4.65060990474461e-05 4.63482710198258e-05  -8.49493248782888e-05 -8.44191122366995e-05  1.70591073429555e-04 1.60874748838090e-04  6.23931444512601e-05 3.95480058673733e-05
-7.45131663326653e+00 5.80676570574736e-04  -6.60088015647092e+00   -2.38367761456093e+00 -2.38367761456093e+00  5.48685691932603e+00 5.48685691932603e+00  -2.78084658629173e-02 -2.78384143908400e-02  5.42163059393578e-02 5.42555714633642e-02  -1.18567893719382e-01 -1.20750314487909e-01  1.51256930036370e-01 1.53024256825060e-01  -1.05985661521074e-01 -1.06099114064099e-01  -1.80503382844186e-05 -1.79995509379915e-05  4.85242854891616e-05 4.83596083303582e-05  -8.86357992742310e-05 -8.80825774428602e-05  1.77994068551324e-04 1.67856092952560e-04  6.51007671530423e-05 4.12642377517008e-05
-7.43007615230461e+00 5.93142341031245e-04  -6.60088015647092e+00   -2.38367956227802e+00 -2.38367956227802e+00  5.48685702298497e+00 5.48685702298497e+00  -2.84054477896925e-02 -2.84360392409234e-02  5.53802014675458e-02 5.54203099282837e-02  -1.21113264216196e-01 -1.23342536366030e-01  1.54504056298380e-01 1.56309323388846e-01  -1.08260919986914e-01 -1.08376808086612e-01  -1.88336538491053e-05 -1.87806625263375e-05  5.06300534326616e-05 5.04582299168420e-05  -9.24822523650561e-05 -9.19050228344899e-05  1.85718324751864e-04 1.75140400141746e-04  6.79258901717221e-05 4.30549474770389e-05
-7.40883567134269e+00 6.05875722479739e-04  -6.60088015647092e+00   -2.38368159455563e+00 -2.38368159455563e+00  5.48685713117595e+00 5.48685713117595e+00  -2.90152454641263e-02 -2.90464936406180e-02  5.65690829829405e-02 5.66100524761369e-02  -1.23713277513254e-01 -1.25990406827623e-01  1.57820890315493e-01 1.59664912192183e-01  -1.10585022515046e-01 -1.10703398456839e-01  -1.96509622924525e-05 -1.95956713492613e-05  5.28272035723143e-05 5.26479235752097e-05  -9.64956265941145e-05 -9.58933475235942e-05  1.93777783474413e-04 1.82740817789114e-04  7.08736125559784e-05 4.49233670902992e-05
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2.97775951903808e+00 1.96437558435124e+01  -1.52720285443750e-01   0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  -5.03668335318407e-14 -5.00529426673072e-14  -1.28060002246001e-13 -1.27196132981956e-13  -6.51600121925585e-13 -6.56748633685542e-13  6.00564934645095e-13 6.06657816438934e-13  1.31282420850411e-13 1.30796572239049e-13  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
2.99900000000000e+00 2.00654614256862e+01  -1.49510640978124e-01   0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  -9.25168467738747e-14 -9.19312415331523e-14  -2.35228358857607e-13 -2.33618600369939e-13  -1.19689851964123e-12 -1.20623711429711e-12  1.10315400073136e-12 1.11423630973192e-12  2.41147492917959e-13 2.40231455965084e-13  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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1.17231863727455e+00 3.22947193829936e+00  3.12523936140612e-08
1.19355911823647e+00 3.29880116203355e+00  2.76079898193533e-08
1.21479959919840e+00 3.36961872236128e+00  2.43340811119137e-08
1.23604008016032e+00 3.44195657039488e+00  2.13966285817787e-08
1.25728056112225e+00 3.51584734316250e+00  1.87659295527601e-08
1.27852104208417e+00 3.59132437833306e+00  1.64153177941590e-08
1.29976152304609e+00 3.66842172925743e+00  1.43203776253924e-08
1.32100200400802e+00 3.74717418033245e+00  1.24584799081531e-08
1.34224248496994e+00 3.82761726269471e+00  1.08085157908200e-08
1.36348296593186e+00 3.90978727025141e+00  9.35074875426619e-09
1.38472344689379e+00 3.99372127605518e+00  8.06673325885219e-09
1.40596392785571e+00 4.07945714903057e+00  6.93926817214595e-09
1.42720440881764e+00 4.16703357105952e+00  5.95236417461244e-09
1.44844488977956e+00 4.25649005443370e+00  5.09121576569155e-09
1.46968537074148e+00 4.34786695968143e+00  4.34217157364760e-09
1.49092585170341e+00 4.44120551377736e+00  3.69270028588975e-09
1.51216633266533e+00 4.53654782874304e+00  3.13135042852238e-09
1.53340681362726e+00 4.63393692064684e+00  2.64770423663791e-09
1.55464729458918e+00 4.73341672901167e+00  2.23232693001470e-09
1.57588777555110e+00 4.83503213663946e+00  1.87671217687237e-09
1.59712825651303e+00 4.93882898986110e+00  1.57322488714682e-09
1.61836873747495e+00 5.04485411922119e+00  1.31504184282661e-09
1.63960921843687e+00 5.15315536060681e+00  1.09609175797921e-09
1.66084969939880e+00 5.26378157682984e+00  9.10995621708701e-10
1.68209018036072e+00 5.37678267967271e+00  7.55008142433455e-10
1.70333066132265e+00 5.49220965240728e+00  6.23960759883695e-10
1.72457114228457e+00 5.61011457279725e+00  5.14206768554146e-10
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1.76705210420842e+00 5.85357218153883e+00  3.46291580566268e-10
1.78829258517034e+00 5.97923471187555e+00  2.82992210829454e-10
1.80953306613227e+00 6.10759492339581e+00  2.30621278896591e-10
1.83077354709419e+00 6.23871072901723e+00  1.87421678238605e-10
1.85201402805611e+00 6.37264128491259e+00  1.51893104887508e-10
1.87325450901804e+00 6.50944701719961e+00  1.22759507265619e-10
1.89449498997996e+00 6.64918964920369e+00  9.89397220160460e-11
1.91573547094188e+00 6.79193222930595e+00  7.95211418016860e-11
1.93697595190381e+00 6.93773915938906e+00  6.37362894861503e-11
1.95821643286573e+00 7.08667622389380e+00  5.09420916082198e-11
1.97945691382766e+00 7.23881061949929e+00  4.06016524447890e-11
2.00069739478958e+00 7.39421098544053e+00  3.22682930612079e-11
2.02193787575150e+00 7.55294743447663e+00  2.55716697128691e-11
2.04317835671343e+00 7.71509158452401e+00  2.02057660660301e-11
2.06441883767535e+00 7.88071659096852e+00  1.59185606075746e-11
2.08565931863728e+00 8.04989717967142e+00  1.25031762454377e-11
2.10689979959920e+00 8.22270968068375e+00  9.79033344099356e-12
2.12814028056112e+00 8.39923206268456e+00  7.64195182395363e-12
2.14938076152305e+00 8.57954396815845e+00  5.94574856606704e-12
2.17062124248497e+00 8.76372674932824e+00  4.61069906707597e-12
2.19186172344689e+00 8.95186350485906e+00  3.56323520962311e-12
2.21310220440882e+00 9.14403911735040e+00  2.74407641054306e-12
2.23434268537074e+00 9.34034029163302e+00  2.10559874320354e-12
2.25558316633267e+00 9.54085559388800e+00  1.60965889128522e-12
2.27682364729459e+00 9.74567549160557e+00  1.22580040365180e-12
2.29806412825651e+00 9.95489239440180e+00  9.29779704556072e-13
2.31930460921844e+00 1.01686006957115e+01  7.02359693671054e-13
2.34054509018036e+00 1.03868968153761e+01  5.28325327799291e-13
2.36178557114229e+00 1.06098792431461e+01  3.95682940638356e-13
2.38302605210421e+00 1.08376485831170e+01  2.95010713429286e-13
2.40426653306613e+00 1.10703075991192e+01  2.18933535571973e-13
2.42550701402806e+00 1.13079612610828e+01  1.61699769471088e-13
2.44674749498998e+00 1.15507167923973e+01  1.18841170360366e-13
2.46798797595190e+00 1.17986837182880e+01  8.69004623191626e-14
2.48922845691383e+00 1.20519739152311e+01  6.32137662624774e-14
2.51046893787575e+00 1.23107016614296e+01  4.57374605167320e-14
2.53170941883768e+00 1.25749836883729e+01  3.29108405869453e-14
2.55294989979960e+00 1.28449392335027e+01  2.35476804181060e-14
2.57419038076152e+00 1.31206900940104e+01  1.67507726109600e-14
2.59543086172345e+00 1.34023606817888e+01  1.18449708130438e-14
2.61667134268537e+00 1.36900780795635e+01  8.32492036715813e-15
2.63791182364730e+00 1.39839720982297e+01  5.81443046883950e-15
2.65915230460922e+00 1.42841753354194e+01  4.03504912667676e-15
2.68039278557114e+00 1.45908232353263e+01  2.78187736594280e-15
2.70163326653307e+00 1.49040541498146e+01  1.90505230028663e-15
2.72287374749499e+00 1.52240094008403e+01  1.29564798316268e-15
2.74411422845691e+00 1.55508333442117e+01  8.75001471492453e-16
2.76535470941884e+00 1.58846734347194e+01  5.86680197806659e-16
2.78659519038076e+00 1.62256802926641e+01  3.90474556045304e-16
2.80783567134269e+00 1.65740077718129e+01  2.57934029131296e-16
2.82907615230461e+00 1.69298130288139e+01  1.69072381352247e-16
2.85031663326653e+00 1.72932565941017e+01  1.09952508618315e-16
2.87155711422846e+00 1.76645024443247e+01  7.09286859606908e-17
2.89279759519038e+00 1.80437180763270e+01  4.53766466835357e-17
2.91403807615231e+00 1.84310745827189e+01  2.87830234349393e-17
2.93527855711423e+00 1.88267467290697e+01  1.80975183925188e-17
2.95651903807615e+00 1.92309130327577e+01  1.12756623694889e-17
2.97775951903808e+00 1.96437558435124e+01  6.95872844873930e-18
2.99900000000000e+00 2.00654614256862e+01  4.25165899693618e-18
density.PCC>