openmx-data 3.7.6-1 / usr / share / openmx / DFT_DATA13 / VPS / Zr_CA13.vps

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

#
# File Name
#

System.CurrrentDir    ./             # default=./
System.Name            Zr_CA13
Log.print             OFF            # ON|OFF

System.UseRestartfile  yes           # NO|YES, default=NO
System.Restartfile     Zr_CA13       # default=null

#
# Calculation type
#

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

#
# Atom
#

AtomSpecies             40
max.occupied.N           5
total.electron        40.0
valence.electron      12.0 
<occupied.electrons 
 1   2.0
 2   2.0  6.0
 3   2.0  6.0  10.0
 4   2.0  6.0   2.0  0.0
 5   2.0  0.0   0.0  0.0  0.0
occupied.electrons>

#
# parameters for solving 1D-differential equations
#

grid.xmin             -8.2           # default=-7.0 rmin(a.u.)=exp(grid.xmin)
grid.xmax              3.6           # 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  0.800         # default=0.800 
scf.Mixing.History      7            # default=5
scf.Mixing.StartPulay   4            # default=6
scf.criterion         1.0e-15       # default=1.0e-9

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

vps.type               MBK           # BHS|TM        
number.vps              7
<pseudo.NandL
 0  4  0  1.20  0.0  
 1  4  1  1.30  0.0  
 2  4  2  1.40  0.0  
 3  4  3  1.30  0.0  
 4  5  0  2.50  0.0  
 5  5  2  2.70 -0.5  
 6  6  0  2.50 -0.2  
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           1.70          # default=smallest_cutoff_vps
local.origin.ratio     2.50          # default=3.0
log.deri.RadF.calc       on          # ON|OFF
log.deri.MinE          -2.5          # default=-3.0 (Hartree)
log.deri.MaxE           2.0          # default= 2.0 (Hartree) 
log.deri.num             60          # default=50
<log.deri.R
 0  3.2 3.2
 1  2.6 2.6
 2  2.6 2.6
 3  2.6 2.6
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              0.1           # default=1.0     
pcc.ratio.origin      10.0           # default=6.0     

#
# Pseudo atomic orbitals
#

maxL.pao                3            # default=2
num.pao                15            # default=7 
radial.cutoff.pao      9.0           # 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       30.000           # default=20.000 (Hartree)
num.of.partition     1200            # 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      -653.0559383060113     -653.0559383060113
 n=  2  l=  0       -90.4497692040997      -90.4497692040997
 n=  2  l=  1       -79.7262403325502      -82.8702719820217
 n=  3  l=  0       -14.7909384291045      -14.7909384291045
 n=  3  l=  1       -11.4647505662272      -11.9658006034271
 n=  3  l=  2        -6.3651842171020       -6.4566657516411
 n=  4  l=  0        -1.9961066350519       -1.9961066350519
 n=  4  l=  1        -1.1687694181500       -1.2348475790784
 n=  4  l=  2        -0.1344166627829       -0.1391355683646
 n=  5  l=  0        -0.1687213418653       -0.1687213418653


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

 Eeigen =    -2150.5977913514930
 Ekin   =     3721.9733054963699
 EHart  =     1483.1298090093258
 Exc    =     -110.2845634350795
 Eec    =    -8692.6510382386841
 Etot   = Ekin + EHart + Exc + Eec
 Etot   =    -3597.8324871680679


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

j.dependent.pseudo.potentials   on

<VPS> L=0, dif of log deris for all electrons =    0.0419630776    0.0419630776
<VPS> L=0, dif of log deris for semi local    =  679.8615787417  679.8615787417
<VPS> L=1, dif of log deris for all electrons = 8763.5016040002 2843.9207409643
<VPS> L=1, dif of log deris for semi local    = 12088.6640619674 2871.4641150803
<VPS> L=2, dif of log deris for all electrons =    0.0722272881    0.0613586455
<VPS> L=2, dif of log deris for semi local    =    0.1681838660    0.1282163555
<VPS> L=3, dif of log deris for all electrons =    3.8929457802    3.9488006941
<VPS> L=3, dif of log deris for semi local    =    7.5202560095    7.8957164403

<project.energies
11
 0   -1.00000000000000e+00  -1.00000000000000e+00
 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
 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
-8.20000000000000e+00 2.74653569972143e-04  -1.76447181726674e+01   1.37568902631624e+01 1.37568902631624e+01  6.91534273326706e+00 6.91534273326706e+00  6.42614480306013e+00 6.42614480306013e+00  3.21828275175947e-03 3.35900865056972e-03  6.95544213685131e-03 7.20676612784918e-03  1.04661438335513e-02 1.08237075987903e-02  2.22186915823199e-06 2.25714551862187e-06  3.58485210392048e-07 3.72799340659464e-07  -3.74028062460435e-09 -3.72647820165658e-09  -5.45211730746400e-10 -5.01340986579270e-10  -1.04108407151391e-08 -1.04225239077821e-08
-8.17635470941884e+00 2.81225221567857e-04  -1.76447181726674e+01   1.37568871000144e+01 1.37568871000144e+01  6.91534283013639e+00 6.91534283013639e+00  6.42614486158679e+00 6.42614486158679e+00  3.29528678815259e-03 3.43937984329071e-03  7.12186540255053e-03 7.37920283650679e-03  1.07165678666420e-02 1.10826870800208e-02  2.32946656089220e-06 2.36645123180074e-06  3.75845431312842e-07 3.90852746512801e-07  -4.01523752651453e-09 -4.00042045468766e-09  -5.85291539182835e-10 -5.38195752538662e-10  -1.11761663089495e-08 -1.11887083607361e-08
-8.15270941883768e+00 2.87954113445210e-04  -1.76447181726674e+01   1.37568837837024e+01 1.37568837837024e+01  6.91534293170804e+00 6.91534293170804e+00  6.42614492295577e+00 6.42614492295577e+00  3.37413330465076e-03 3.52167408223914e-03  7.29227068767381e-03 7.55576544854782e-03  1.09729838109849e-02 1.13478631791750e-02  2.44227452141288e-06 2.48105023011341e-06  3.94046348491013e-07 4.09780417227031e-07  -4.31040716079379e-09 -4.29450085084516e-09  -6.28317709256170e-10 -5.77759799632895e-10  -1.19977527970959e-08 -1.20112168447858e-08
-8.12906412825651e+00 2.94844007901367e-04  -1.76447181726674e+01   1.37568803068090e+01 1.37568803068090e+01  6.91534303820952e+00 6.91534303820952e+00  6.42614498730480e+00 6.42614498730480e+00  3.45486638639096e-03 3.60593738026080e-03  7.46675327026153e-03 7.73655268472994e-03  1.12355350354670e-02 1.16193841631663e-02  2.56054536746058e-06 2.60119884738613e-06  4.13128673950817e-07 4.29624690440509e-07  -4.62727541300271e-09 -4.61019979245840e-09  -6.74506834961930e-10 -6.20232293511491e-10  -1.28797360503304e-08 -1.28941898720142e-08
-8.10541883767535e+00 3.01898757254192e-04  -1.76447181726674e+01   1.37568766615577e+01 1.37568766615577e+01  6.91534314987932e+00 6.91534314987932e+00  6.42614505477792e+00 6.42614505477792e+00  3.53753117333851e-03 3.69221685115414e-03  7.64541070807972e-03 7.92166562791039e-03  1.15043683393770e-02 1.18974018465053e-02  2.68454364587615e-06 2.72716583062000e-06  4.33135091256956e-07 4.50429954055073e-07  -4.96743739962202e-09 -4.94910650969162e-09  -7.24091432628021e-10 -6.65827040957902e-10  -1.38265559769180e-08 -1.38420723332119e-08
-8.08177354709419e+00 3.09122305996176e-04  -1.76447181726674e+01   1.37568728397944e+01 1.37568728397944e+01  6.91534326696742e+00 6.91534326696742e+00  6.42614512552621e+00 6.42614512552621e+00  3.62217388552609e-03 3.78056073601288e-03  7.82834289316740e-03 8.11120777956428e-03  1.17796340344855e-02 1.21820716761835e-02  2.81454671438818e-06 2.85923294109858e-06  4.54110350989166e-07 4.72242745522851e-07  -5.33260549786946e-09 -5.31292706072918e-09  -7.77321111402304e-10 -7.14773566193251e-10  -1.48429788731337e-08 -1.48596358734570e-08
-8.05812825651303e+00 3.16518692999909e-04  -1.76447181726674e+01   1.37568688329715e+01 1.37568688329715e+01  6.91534338973597e+00 6.91534338973597e+00  6.42614519970800e+00 6.42614519970800e+00  3.70884184889665e-03 3.87101843019891e-03  8.01565210768906e-03 8.30528511765514e-03  1.20614860290886e-02 1.24735528185888e-02  2.95084536197878e-06 2.99769558460357e-06  4.76101370840118e-07 4.95111855941148e-07  -5.72461796580651e-09 -5.70349292007223e-09  -8.34463829785389e-10 -7.67318266301600e-10  -1.59341214167948e-08 -1.59520029125726e-08
-8.03448296593186e+00 3.24092053776313e-04  -1.76447181726674e+01   1.37568646321266e+01 1.37568646321266e+01  6.91534351845980e+00 6.91534351845980e+00  6.42614527748954e+00 6.42614527748954e+00  3.79758352176463e-03 3.96364051096062e-03  8.20744308112355e-03 8.50400615589028e-03  1.23500819140625e-02 1.27720082484997e-02  3.09374445929006e-06 3.14286347214660e-06  4.99157340560813e-07 5.19088439188268e-07  -6.14544819612877e-09 -6.12277019818063e-09  -8.95807244533978e-10 -8.23725651593149e-10  -1.71054764246125e-08 -1.71246724313832e-08
-8.01083767535070e+00 3.31846622786916e-04  -1.76447181726674e+01   1.37568602278640e+01 1.37568602278640e+01  6.91534365342714e+00 6.91534365342714e+00  6.42614535904496e+00 6.42614535904496e+00  3.88844852191035e-03 4.05847876571197e-03  8.40382304882133e-03 8.70748200439382e-03  1.26455830509781e-02 1.30776048402096e-02  3.24356364052432e-06 3.29506131269647e-06  5.23329831988001e-07 5.44226126344300e-07  -6.59721465022278e-09 -6.57286953887100e-09  -9.61660158725174e-10 -8.84279677149324e-10  -1.83629405030218e-08 -1.83835476535758e-08
-7.98719238476954e+00 3.39786735811448e-04  -1.76447181726674e+01   1.37568556103323e+01 1.37568556103323e+01  6.91534379494005e+00 6.91534379494005e+00  6.42614544455678e+00 6.42614544455678e+00  3.98148765432271e-03 4.15558622098833e-03  8.60490181196286e-03 8.91582643183155e-03  1.29481546623221e-02 1.33905134608318e-02  3.40063801836462e-06 3.45462953944949e-06  5.48672914399731e-07 5.70581145652889e-07  -7.08219152249790e-09 -7.05605674429498e-09  -1.03235407627122e-09 -9.49285172252770e-10  -1.97128437316873e-08 -1.97349657625164e-08
-7.96354709418838e+00 3.47916832372088e-04  -1.76447181726674e+01   1.37568507692033e+01 1.37568507692033e+01  6.91534394331528e+00 6.91534394331528e+00  6.42614553421650e+00 6.42614553421650e+00  4.07675293960566e-03 4.25501717209504e-03  8.81079179895166e-03 9.12915592902229e-03  1.32579659238792e-02 1.37109090658357e-02  3.56531893351299e-06 3.62192507126817e-06  5.75243275457219e-07 5.98212448292268e-07  -7.60282018867693e-09 -7.57476418098315e-09  -1.10824487071018e-09 -1.01906937489801e-09  -2.11619815291088e-08 -2.11857298026149e-08
-7.93990180360721e+00 3.56241458215713e-04  -1.76447181726674e+01   1.37568456936485e+01 1.37568456936485e+01  6.91534409888492e+00 6.91534409888492e+00  6.42614562822471e+00 6.42614562822471e+00  4.17429764306442e-03 4.35682721346540e-03  9.02160812827629e-03 9.34758977407129e-03  1.35751900593230e-02 1.40389707968707e-02  3.73797474052333e-06 3.79732211099008e-06  6.03100348003389e-07 6.27181840236837e-07  -8.16172149567580e-09 -8.13160302437252e-09  -1.18971457667318e-09 -1.09398357910735e-09  -2.27176488607371e-08 -2.27431429258310e-08
-7.91625651302605e+00 3.64765267855546e-04  -1.76447181726674e+01   1.37568403723158e+01 1.37568403723158e+01  6.91534426199721e+00 6.91534426199721e+00  6.42614572679198e+00 6.42614572679198e+00  4.27417630448752e-03 4.46107326974510e-03  9.23746867287644e-03 9.57125009906197e-03  1.39000044370707e-02 1.43748820819293e-02  3.91899163168622e-06 3.98121298239311e-06  6.32306443001668e-07 6.57554120504373e-07  -8.76170895493963e-09 -8.72937640345635e-09  -1.27717331304625e-09 -1.17440490334472e-09  -2.43876769618047e-08 -2.44150451557145e-08
-7.89261122244489e+00 3.73493027173611e-04  -1.76447181726674e+01   1.37568347933025e+01 1.37568347933025e+01  6.91534443301716e+00 6.91534443301716e+00  6.42614583013885e+00 6.42614583013885e+00  4.37644476864166e-03 4.56781362762035e-03  9.45849412604926e-03 9.80026195834368e-03  1.42325906694556e-02 1.47188307379078e-02  4.10877450080737e-06 4.17400900768765e-06  6.62926888912642e-07 6.89397226097805e-07  -9.40580290565006e-09 -9.37109351172619e-09  -1.37106134750840e-09 -1.26073818892960e-09  -2.61804727597321e-08 -2.62098528540528e-08
-7.86896593186373e+00 3.82429616085463e-04  -1.76447181726674e+01   1.37568289441300e+01 1.37568289441300e+01  6.91534461232750e+00 6.91534461232750e+00  6.42614593849671e+00 6.42614593849671e+00  4.48116021649599e-03 4.67710796840761e-03  9.68480806893247e-03 1.00347533984531e-02  1.45731347142725e-02 1.50710090756204e-02  4.30774784881218e-06 4.37614142749889e-06  6.95030177819980e-07 7.22782383966095e-07  -1.00972457191007e-08 -1.00599847554401e-08  -1.47185131283816e-09 -1.35341803800748e-09  -2.81050611945604e-08 -2.81366010887951e-08
-7.84532064128256e+00 3.91580031268676e-04  -1.76447181726674e+01   1.37568228117146e+01 1.37568228117146e+01  6.91534480032950e+00 6.91534480032950e+00  6.42614605210797e+00 6.42614605210797e+00  4.58838119719372e-03 4.78901740142308e-03  9.91653703960239e-03 1.02748555297090e-02  1.49218269787528e-02 1.54316140073268e-02  4.51635673320083e-06 4.58806236539569e-06  7.28688118632644e-07 7.57784270323874e-07  -1.08395181207802e-08 -1.07995180154732e-08  -1.58005058614594e-09 -1.45291100133621e-09  -3.01711306504522e-08 -3.02049891165379e-08
-7.82167535070140e+00 4.00949388956609e-04  -1.76447181726674e+01   1.37568163823403e+01 1.37568163823403e+01  6.91534499744388e+00 6.91534499744388e+00  6.42614617122702e+00 6.42614617122702e+00  4.69816766078853e-03 4.90360449815066e-03  1.01538106038251e-02 1.05207025995198e-02  1.52788624260272e-02 1.58008471568319e-02  4.73506776347719e-06 4.81024583912328e-06  7.63975997706157e-07 7.94481177686253e-07  -1.16363567123257e-08 -1.15934161046125e-08  -1.69620384300894e-09 -1.55971792690121e-09  -3.23890817269585e-08 -3.24254292085233e-08
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3.57535470941884e+00 3.57072842796532e+01  -3.36065882428673e-01   0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  2.66641853196974e-34 5.97454269614357e-35  -4.18959558670990e-34 -9.33666996620431e-35  5.19276573938063e-34 1.14319629606795e-34  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
3.59900000000000e+00 3.65616545022533e+01  -3.28212718038875e-01   0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  6.88623094831473e-35 1.48779693330068e-35  -1.08199528484559e-34 -2.32504304504241e-35  1.34107169273186e-34 2.84681862689658e-35  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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1.66008617234469e+00 5.25976407112134e+00  4.20684294068363e-09
1.68373146292585e+00 5.38561474531637e+00  3.62767140782154e-09
1.70737675350701e+00 5.51447665575341e+00  3.11419457427194e-09
1.73102204408818e+00 5.64642185245334e+00  2.66091827862675e-09
1.75466733466934e+00 5.78152410938201e+00  2.26263178661409e-09
1.77831262525050e+00 5.91985896569913e+00  1.91437425637024e-09
1.80195791583166e+00 6.06150376799421e+00  1.61142075674068e-09
1.82560320641283e+00 6.20653771353299e+00  1.34928088667339e-09
1.84924849699399e+00 6.35504189453868e+00  1.12370467911654e-09
1.87289378757515e+00 6.50709934353275e+00  9.30691820574773e-10
1.89653907815631e+00 6.66279507976053e+00  7.66501319628391e-10
1.92018436873747e+00 6.82221615672766e+00  6.27659649113067e-10
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1.96747494989980e+00 7.15259301141200e+00  4.13494640893255e-10
1.99112024048096e+00 7.32373351135784e+00  3.32592022266248e-10
2.01476553106212e+00 7.49896889978329e+00  2.65872164371910e-10
2.03841082164329e+00 7.67839715531797e+00  2.11207131400324e-10
2.06205611222445e+00 7.86211860093178e+00  1.66715128251764e-10
2.08570140280561e+00 8.05023596002801e+00  1.30746067569916e-10
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2.15663727454910e+00 8.64202797453940e+00  6.06012427955694e-11
2.18028256513026e+00 8.84880626959252e+00  4.62651088234790e-11
2.20392785571142e+00 9.06053216067646e+00  3.50750381247274e-11
2.22757314629258e+00 9.27732402920295e+00  2.64041535007807e-11
2.25121843687375e+00 9.49930308910250e+00  1.97347970267625e-11
2.27486372745491e+00 9.72659345459824e+00  1.46431944526536e-11
2.29850901803607e+00 9.95932220960135e+00  1.07854360886399e-11
2.32215430861723e+00 1.01976194787670e+01  7.88485441564883e-12
2.34579959919840e+00 1.04416185002504e+01  5.72082149208452e-12
2.36944488977956e+00 1.06914557002037e+01  4.11894198835258e-12
2.39309018036072e+00 1.09472707690553e+01  2.94258047127065e-12
2.41673547094188e+00 1.12092067396144e+01  2.08563416853622e-12
2.44038076152305e+00 1.14774100670445e+01  1.46644403832034e-12
2.46402605210421e+00 1.17520307107500e+01  1.02272649398264e-12
2.48767134268537e+00 1.20332222182226e+01  7.07404338865012e-13
2.51131663326653e+00 1.23211418108934e+01  4.85217015838508e-13
2.53496192384770e+00 1.26159504720399e+01  3.29995880552924e-13
2.55860721442886e+00 1.29178130367954e+01  2.22498660306259e-13
2.58225250501002e+00 1.32268982843128e+01  1.48707485981605e-13
2.60589779559118e+00 1.35433790321337e+01  9.85060332429641e-14
2.62954308617234e+00 1.38674322328145e+01  6.46626014821374e-14
2.65318837675351e+00 1.41992390728657e+01  4.20569038344393e-14
2.67683366733467e+00 1.45389850740577e+01  2.70985607082587e-14
2.70047895791583e+00 1.48868601971507e+01  1.72945189368244e-14
2.72412424849699e+00 1.52430589481071e+01  1.09307525993917e-14
2.74776953907816e+00 1.56077804868443e+01  6.84060239665254e-15
2.77141482965932e+00 1.59812287385904e+01  4.23801114806401e-15
2.79506012024048e+00 1.63636125079042e+01  2.59879135071769e-15
2.81870541082164e+00 1.67551455954229e+01  1.57702199952154e-15
2.84235070140281e+00 1.71560469174038e+01  9.46834140085866e-16
2.86599599198397e+00 1.75665406281258e+01  5.62328436152737e-16
2.88964128256513e+00 1.79868562452201e+01  3.30288702638494e-16
2.91328657314629e+00 1.84172287779995e+01  1.91818249865979e-16
2.93693186372745e+00 1.88578988588575e+01  1.10123789688699e-16
2.96057715430862e+00 1.93091128778131e+01  6.24838004006890e-17
2.98422244488978e+00 1.97711231202730e+01  3.50305104759686e-17
3.00786773547094e+00 2.02441879080914e+01  1.94005316708352e-17
3.03151302605210e+00 2.07285717440038e+01  1.06111422752118e-17
3.05515831663327e+00 2.12245454595182e+01  5.73037566208729e-18
3.07880360721443e+00 2.17323863663431e+01  3.05467928419181e-18
3.10244889779559e+00 2.22523784114403e+01  1.60693002821320e-18
3.12609418837675e+00 2.27848123357866e+01  8.33993322753522e-19
3.14973947895792e+00 2.33299858369347e+01  4.26919651829111e-19
3.17338476953908e+00 2.38882037354635e+01  2.15491274255939e-19
3.19703006012024e+00 2.44597781454114e+01  1.07224352980339e-19
3.22067535070140e+00 2.50450286487871e+01  5.25793936882022e-20
3.24432064128256e+00 2.56442824742561e+01  2.54026237010164e-20
3.26796593186373e+00 2.62578746801028e+01  1.20883546155046e-20
3.29161122244489e+00 2.68861483415705e+01  5.66442853678338e-21
3.31525651302605e+00 2.75294547426831e+01  2.61287711942116e-21
3.33890180360721e+00 2.81881535726574e+01  1.18611976017437e-21
3.36254709418838e+00 2.88626131270145e+01  5.29732193789044e-22
3.38619238476954e+00 2.95532105135035e+01  2.32687352495980e-22
3.40983767535070e+00 3.02603318629520e+01  1.00495474375808e-22
3.43348296593186e+00 3.09843725451620e+01  4.26622947341712e-23
3.45712825651303e+00 3.17257373899709e+01  1.77962970289771e-23
3.48077354709419e+00 3.24848409136032e+01  7.29225681524053e-24
3.50441883767535e+00 3.32621075504361e+01  2.93421563532307e-24
3.52806412825651e+00 3.40579718903128e+01  1.15892089698121e-24
3.55170941883767e+00 3.48728789215321e+01  4.49099283470445e-25
3.57535470941884e+00 3.57072842796532e+01  1.70630527079916e-25
3.59900000000000e+00 3.65616545022533e+01  6.34808435857693e-26
density.PCC>