openmx-data 3.7.6-2 / usr / share / openmx / DFT_DATA13 / VPS / Si_CA13_SCH2p.vps

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

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

#
# File Name
#

System.CurrrentDir    ./             # default=./
System.Name            Si_CA13_SCH2p
Log.print              OFF           # ON|OFF

System.UseRestartfile  yes            # NO|YES, default=NO
System.Restartfile     Si_CA13_SCH2p # default=null

#
# Calculation type
#

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

#
# Atom
#

AtomSpecies             14
max.occupied.N           3
total.electron        14.0
valence.electron       5.0
<occupied.electrons 
 1   2.0
 2   2.0  5.0
 3   2.0  3.0  0.0
occupied.electrons>


#
# parameters for solving 1D-differential equations
#

grid.xmin             -8.0           # default=-7.0 rmin(a.u.)=exp(grid.xmin)
grid.xmax              3.5           # default= 2.5 rmax(a.u.)=exp(grid.xmax)
grid.num             10000           # 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  0.500         # default=0.800 
scf.Mixing.History      7            # default=5
scf.Mixing.StartPulay   4            # default=6
scf.criterion         1.0e-12        # default=1.0e-9

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

vps.type               MBK           # BHS|TM        
number.vps              5
<pseudo.NandL
 0  3  0  1.50  0.0 
 1  3  1  1.70  0.0
 2  3  2  1.60  0.0
 3  4  1  2.60 -0.6 
 4  4  2  2.40  0.1 
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           1.50          # default=smallest_cutoff_vps
local.origin.ratio     2.00          # 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             70          # default=50
<log.deri.R
 0  2.6 2.6
 1  2.6 2.6
 2  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      7.0           # 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      2000           # 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=-216.3451778276257 (Hartree)  NormRD=156.9273457718222
 SCF=   2  Eeigen=-216.3158160061002 (Hartree)  NormRD=156.4696882169844
 SCF=   3  Eeigen=-211.7466366778442 (Hartree)  NormRD= 74.5882364509796
 SCF=   4  Eeigen=-196.8607529374857 (Hartree)  NormRD= 17.8103523639558
 SCF=   5  Eeigen=-176.8237616827699 (Hartree)  NormRD=  5.0600860306962
 SCF=   6  Eeigen=-169.6087054558922 (Hartree)  NormRD=  0.9497990970378
 SCF=   7  Eeigen=-167.9348277323552 (Hartree)  NormRD=  0.2123982843059
 SCF=   8  Eeigen=-167.4422082374944 (Hartree)  NormRD=  0.0501607452613
 SCF=   9  Eeigen=-167.2346052159930 (Hartree)  NormRD=  0.0120378579709
 SCF=  10  Eeigen=-167.1360474566545 (Hartree)  NormRD=  0.0029090771836
 SCF=  11  Eeigen=-167.0884015662823 (Hartree)  NormRD=  0.0007057708800
 SCF=  12  Eeigen=-167.0653131459788 (Hartree)  NormRD=  0.0001716425171
 SCF=  13  Eeigen=-167.0541066440443 (Hartree)  NormRD=  0.0000418084685
 SCF=  14  Eeigen=-167.0486578686615 (Hartree)  NormRD=  0.0000101942925
 SCF=  15  Eeigen=-167.0460048950802 (Hartree)  NormRD=  0.0000024875179
 SCF=  16  Eeigen=-167.0447120487995 (Hartree)  NormRD=  0.0000006073051
 SCF=  17  Eeigen=-167.0440817821822 (Hartree)  NormRD=  0.0000001483291
 SCF=  18  Eeigen=-167.0437745377466 (Hartree)  NormRD=  0.0000000362403
 SCF=  19  Eeigen=-167.0436248181859 (Hartree)  NormRD=  0.0000000088569
 SCF=  20  Eeigen=-167.0435519071232 (Hartree)  NormRD=  0.0000000021651
 SCF=  21  Eeigen=-167.0435164315261 (Hartree)  NormRD=  0.0000000005294
 SCF=  22  Eeigen=-167.0434991890733 (Hartree)  NormRD=  0.0000000001295
 SCF=  23  Eeigen=-167.0434947579467 (Hartree)  NormRD=  0.0000000000695
 SCF=  24  Eeigen=-167.0434943407296 (Hartree)  NormRD=  0.0000000000647
 SCF=  25  Eeigen=-167.0434943127756 (Hartree)  NormRD=  0.0000000000644
 SCF=  26  Eeigen=-167.0434943010613 (Hartree)  NormRD=  0.0000000000643
 SCF=  27  Eeigen=-167.0434942893595 (Hartree)  NormRD=  0.0000000000642
 SCF=  28  Eeigen=-167.0434942776695 (Hartree)  NormRD=  0.0000000000640
 SCF=  29  Eeigen=-167.0434942659914 (Hartree)  NormRD=  0.0000000000639
 SCF=  30  Eeigen=-167.0434942543253 (Hartree)  NormRD=  0.0000000000638
 SCF=  31  Eeigen=-167.0434942426715 (Hartree)  NormRD=  0.0000000000636
 SCF=  32  Eeigen=-167.0434942310298 (Hartree)  NormRD=  0.0000000000635
 SCF=  33  Eeigen=-167.0434942194002 (Hartree)  NormRD=  0.0000000000634
 SCF=  34  Eeigen=-167.0434942077820 (Hartree)  NormRD=  0.0000000000633
 SCF=  35  Eeigen=-167.0434941961765 (Hartree)  NormRD=  0.0000000000631
 SCF=  36  Eeigen=-167.0434941845824 (Hartree)  NormRD=  0.0000000000630
 SCF=  37  Eeigen=-167.0434941730007 (Hartree)  NormRD=  0.0000000000629
 SCF=  38  Eeigen=-167.0434941614300 (Hartree)  NormRD=  0.0000000000627
 SCF=  39  Eeigen=-167.0434941498727 (Hartree)  NormRD=  0.0000000000626
 SCF=  40  Eeigen=-167.0434941383259 (Hartree)  NormRD=  0.0000000000625
 SCF=  41  Eeigen=-167.0434941267922 (Hartree)  NormRD=  0.0000000000624
 SCF=  42  Eeigen=-167.0434941152698 (Hartree)  NormRD=  0.0000000000622
 SCF=  43  Eeigen=-167.0434941037591 (Hartree)  NormRD=  0.0000000000621
 SCF=  44  Eeigen=-167.0434940922606 (Hartree)  NormRD=  0.0000000000620
 SCF=  45  Eeigen=-167.0434940807737 (Hartree)  NormRD=  0.0000000000619
 SCF=  46  Eeigen=-167.0434940692985 (Hartree)  NormRD=  0.0000000000617
 SCF=  47  Eeigen=-167.0434940578357 (Hartree)  NormRD=  0.0000000000616
 SCF=  48  Eeigen=-167.0434940463842 (Hartree)  NormRD=  0.0000000000615
 SCF=  49  Eeigen=-167.0434940349453 (Hartree)  NormRD=  0.0000000000614
 SCF=  50  Eeigen=-167.0434940235173 (Hartree)  NormRD=  0.0000000000612
 SCF=  51  Eeigen=-167.0434940121013 (Hartree)  NormRD=  0.0000000000611
 SCF=  52  Eeigen=-167.0434940006972 (Hartree)  NormRD=  0.0000000000610
 SCF=  53  Eeigen=-167.0434939893054 (Hartree)  NormRD=  0.0000000000609
 SCF=  54  Eeigen=-167.0434939779244 (Hartree)  NormRD=  0.0000000000608
 SCF=  55  Eeigen=-167.0434939665556 (Hartree)  NormRD=  0.0000000000606
 SCF=  56  Eeigen=-167.0434939551986 (Hartree)  NormRD=  0.0000000000605
 SCF=  57  Eeigen=-167.0434939438532 (Hartree)  NormRD=  0.0000000000604
 SCF=  58  Eeigen=-167.0434939325196 (Hartree)  NormRD=  0.0000000000603
 SCF=  59  Eeigen=-167.0434939211971 (Hartree)  NormRD=  0.0000000000601
 SCF=  60  Eeigen=-167.0434939098872 (Hartree)  NormRD=  0.0000000000000

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

                         j=l+1/2                j=l-1/2
 n=  1  l=  0       -66.4004019352031      -66.4004019352031
 n=  2  l=  0        -5.7644377439706       -5.7644377439706
 n=  2  l=  1        -4.2118619181994       -4.2375424169198
 n=  3  l=  0        -0.4862116985439       -0.4862116985439
 n=  3  l=  1        -0.2051064648334       -0.2068137462692


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

 Eeigen =     -167.0434939098872
 Ekin   =      285.7380984569527
 EHart  =      124.1487168817689
 Exc    =      -18.8266193836801
 Eec    =     -676.2059153439765
 Etot   = Ekin + EHart + Exc + Eec
 Etot   =     -285.1457193889350


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

j.dependent.pseudo.potentials   on

<VPS> L=0, dif of log deris for all electrons =    0.0616135577    0.0616135577
<VPS> L=0, dif of log deris for semi local    =   36.9601472159   36.9601472159
<VPS> L=1, dif of log deris for all electrons =    0.3496582103    3.1945697300
<VPS> L=1, dif of log deris for semi local    =   67.6010547529 1801.8605870649
<VPS> L=2, dif of log deris for all electrons =    7.1049321628    7.5619169487
<VPS> L=2, dif of log deris for semi local    =    1.6828667817    1.7684079362

<project.energies
 7
 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
 2   -1.00000000000000e+00  -1.00000000000000e+00
 2    1.00000000000000e+00   1.00000000000000e+00
project.energies>

<Pseudo.Potentials
-8.00000000000000e+00 3.35462627902512e-04  -6.66949796143214e+00   3.07567185452674e+00 3.07567185452674e+00  5.47878862244462e+00 5.47878862244462e+00  6.93975613684974e+00 6.93975613684974e+00  3.85786318481992e-04 3.59054593900851e-04  1.38132085708648e-03 1.39062614765474e-03  2.03281698692312e-06 2.03284052917314e-06  3.41416710551045e-06 3.52099501386426e-06
-7.97695591182365e+00 3.43282816780958e-04  -6.66949796143213e+00   3.07567186787990e+00 3.07567186787990e+00  5.47878864748219e+00 5.47878864748219e+00  6.93975617168442e+00 6.93975617168442e+00  3.94779356160153e-04 3.67424472876389e-04  1.41352171922511e-03 1.42304393173208e-03  2.12869833479173e-06 2.12872298764939e-06  3.57520173958015e-06 3.68706835875033e-06
-7.95391182364729e+00 3.51285307200643e-04  -6.66949796143214e+00   3.07567188186745e+00 3.07567188186745e+00  5.47878867372548e+00 5.47878867372548e+00  6.93975620823506e+00 6.93975620823506e+00  4.03982016401592e-04 3.75989447699743e-04  1.44647323585082e-03 1.45621742712165e-03  2.22910209280285e-06 2.22912790867054e-06  3.74383180389368e-06 3.86097479214110e-06
-7.93086773547094e+00 3.59474348912110e-04  -6.66949796143214e+00   3.07567189651922e+00 3.07567189651922e+00  5.47878870123081e+00 5.47878870123081e+00  6.93975624658091e+00 6.93975624658091e+00  4.13399184421813e-04 3.84754064955011e-04  1.48019290589838e-03 1.49016425064227e-03  2.33424156824441e-06 2.33426860199835e-06  3.92041554543634e-06 4.04308377046130e-06
-7.90782364729459e+00 3.67854290734620e-04  -6.66949796143214e+00   3.07567191186643e+00 3.07567191186643e+00  5.47878873005713e+00 5.47878873005713e+00  6.93975628680502e+00 6.93975628680502e+00  4.23035859216175e-04 3.93722977112846e-04  1.51469863622700e-03 1.52490242978533e-03  2.44434012940780e-06 2.44436843851459e-06  4.10532810808138e-06 4.23378217572366e-06
-7.88477955911824e+00 3.76429582865604e-04  -6.66949796143214e+00   3.07567192794179e+00 3.07567192794179e+00  5.47878876026624e+00 5.47878876026624e+00  6.93975632899440e+00 6.93975632899440e+00  4.32897156204981e-04 4.02900944991555e-04  1.55000875112964e-03 1.56045041228824e-03  2.55963168013223e-06 2.55966132477099e-06  4.29896232951732e-06 4.43347513739269e-06
-7.86173547094188e+00 3.85204779243959e-04  -6.66949796143213e+00   3.07567194477954e+00 3.07567194477954e+00  5.47878879192281e+00 5.47878879192281e+00  6.93975637324019e+00 6.93975637324019e+00  4.42988309939612e-04 4.12292840275032e-04  1.58614200206350e-03 1.59682707593052e-03  2.68036115673140e-06 2.68039219992217e-06  4.50172957575917e-06 4.64258689300770e-06
-7.83869138276553e+00 3.94184539968434e-04  -6.66949796143214e+00   3.07567196241554e+00 3.07567196241554e+00  5.47878882509461e+00 5.47878882509461e+00  6.93975641963789e+00 6.93975641963789e+00  4.53314676871290e-04 4.21903648088891e-04  1.62311757760786e-03 1.63405173855852e-03  2.80678504835837e-06 2.80681755609667e-06  4.71406061501633e-06 4.86156168939410e-06
-7.81564729458918e+00 4.03373633772387e-04  -6.66949796143213e+00   3.07567198088736e+00 3.07567198088736e+00  5.47878885985260e+00 5.47878885985260e+00  6.93975646828750e+00 6.93975646828750e+00  4.63881738183693e-04 4.31738469635930e-04  1.66095511365342e-03 1.67214416834365e-03  2.93917194191539e-06 2.93920598331149e-06  4.93640653277313e-06 5.09086472637712e-06
-7.79260320641283e+00 4.12776940556241e-04  -6.66949796143213e+00   3.07567200023433e+00 3.07567200023433e+00  5.47878889627110e+00 5.47878889627110e+00  6.93975651929380e+00 6.93975651929380e+00  4.74695102691030e-04 4.41802524892600e-04  1.69967470382954e-03 1.71112459427978e-03  3.07780309266287e-06 3.07783874009106e-06  5.16923969002487e-06 5.33098314500060e-06
-7.76955911823647e+00 4.22399453978973e-04  -6.66949796143214e+00   3.07567202049763e+00 3.07567202049763e+00  5.47878893442796e+00 5.47878893442796e+00  6.93975657276651e+00 6.93975657276651e+00  4.85760509802890e-04 4.52101155367368e-04  1.73929691017461e-03 1.75101371692537e-03  3.22297302174587e-06 3.22301035099669e-06  5.41305472670446e-06 5.58242706235193e-06
-7.74651503006012e+00 4.32246284110013e-04  -6.66949796143213e+00   3.07567204172040e+00 3.07567204172040e+00  5.47878897440469e+00 5.47878897440469e+00  6.93975662882060e+00 6.93975662882060e+00  4.97083832557584e-04 4.62639826922889e-04  1.77984277405465e-03 1.79183271939595e-03  3.37499014189919e-06 3.37502923234259e-06  5.66836961243129e-06 5.84573065518835e-06
-7.72347094188377e+00 4.42322660142962e-04  -6.66949796143213e+00   3.07567206394781e+00 3.07567206394781e+00  5.47878901628668e+00 5.47878901628668e+00  6.93975668757647e+00 6.93975668757647e+00  5.08671080725285e-04 4.73424132663029e-04  1.82133382733700e-03 1.83360327861268e-03  3.53417741266906e-06 3.53421834742203e-06  5.93572674681237e-06 6.12145329466685e-06
-7.70042685370742e+00 4.52633933172576e-04  -6.66949796143213e+00   3.07567208722716e+00 3.07567208722716e+00  5.47878906016334e+00 5.47878906016334e+00  6.93975674916025e+00 6.93975674916025e+00  5.20528403982731e-04 4.84459795886476e-04  1.86379210382383e-03 1.87634757681345e-03  3.70087302653668e-06 3.70091589264144e-06  6.21569411163359e-06 6.41018073458821e-06
-7.67738276553106e+00 4.63185579036485e-04  -6.66949796143213e+00   3.07567211160799e+00 3.07567211160799e+00  5.47878910612831e+00 5.47878910612831e+00  6.93975681370402e+00 6.93975681370402e+00  5.32662095161000e-04 4.95752673108097e-04  1.90724015095263e-03 1.92008831333188e-03  3.87543112740432e-06 3.87547601601434e-06  6.50886647738679e-06 6.71252635567643e-06
-7.65433867735471e+00 4.73983201223153e-04  -6.66949796143213e+00   3.07567213714217e+00 3.07567213714217e+00  5.47878915427966e+00 5.47878915427966e+00  6.93975688134611e+00 6.93975688134611e+00  5.45078593568007e-04 5.07308757149947e-04  1.95170104176944e-03 1.96484871665093e-03  4.05822256297247e-06 4.05826956954467e-06  6.81586666669532e-06 7.02913246853732e-06
-7.63129458917836e+00 4.85032533847629e-04  -6.66949796143213e+00   3.07567216388403e+00 3.07567216388403e+00  5.47878920472012e+00 5.47878920472012e+00  6.93975695223148e+00 6.93975695223148e+00  5.57784488387407e-04 5.19134180303238e-04  1.99719838718072e-03 2.01065255673788e-03  4.24963567259842e-06 4.24968489709981e-06  7.13734687732076e-06 7.36067167806219e-06
-7.60825050100200e+00 4.96339444696673e-04  -6.66949796143213e+00   3.07567219189045e+00 3.07567219189045e+00  5.47878925755722e+00 5.47878925755722e+00  6.93975702651184e+00 6.93975702651184e+00  5.70786522155644e-04 5.31235217562825e-04  2.04375634849093e-03 2.05752415766636e-03  4.45007711232243e-06 4.45012865944059e-06  7.47399006755933e-06 7.70784831217469e-06
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3.47595591182365e+00 3.23287171738417e+01  -1.54661255891668e-01   -1.68853640823677e-21 -1.68853640823677e-21  3.13833736426322e-21 3.13833736426322e-21  -4.51327107177638e-21 -4.51327107177638e-21  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.49900000000000e+00 3.30823530589418e+01  -1.51137979517827e-01   -7.66912083400858e-22 -7.66912083400858e-22  1.42539351334112e-21 1.42539351334112e-21  -2.04987117325578e-21 -2.04987117325578e-21  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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1.70156112224449e+00 5.48249956652387e+00  1.22300910703190e-09
1.72460521042084e+00 5.61030570220071e+00  9.86404153884784e-10
1.74764929859720e+00 5.74109121035509e+00  7.92455435838228e-10
1.77069338677355e+00 5.87492554508883e+00  6.34096623335876e-10
1.79373747494990e+00 6.01187977959377e+00  5.05313540528788e-10
1.81678156312625e+00 6.15202664389544e+00  4.01008759945183e-10
1.83982565130261e+00 6.29544056347660e+00  3.16880082440052e-10
1.86286973947896e+00 6.44219769880115e+00  2.49311964573609e-10
1.88591382765531e+00 6.59237598575943e+00  1.95279015436048e-10
1.90895791583166e+00 6.74605517705627e+00  1.52260690345117e-10
1.93200200400802e+00 6.90331688456407e+00  1.18166299710571e-10
1.95504609218437e+00 7.06424462266295e+00  9.12694476592419e-11
1.97809018036072e+00 7.22892385259143e+00  7.01510244816778e-11
2.00113426853708e+00 7.39744202783092e+00  5.36499000155258e-11
2.02417835671343e+00 7.56988864054810e+00  4.08205005350467e-11
2.04722244488978e+00 7.74635526912019e+00  3.08964967766919e-11
2.07026653306613e+00 7.92693562676789e+00  2.32598823354937e-11
2.09331062124249e+00 8.11172561132206e+00  1.74147772972104e-11
2.11635470941884e+00 8.30082335615074e+00  1.29653494197751e-11
2.13939879759519e+00 8.49432928227312e+00  9.59730247615673e-12
2.16244288577154e+00 8.69234615168844e+00  7.06243737751781e-12
2.18548697394790e+00 8.89497912194823e+00  5.16584520664261e-12
2.20853106212425e+00 9.10233580200049e+00  3.75534175881673e-12
2.23157515030060e+00 9.31452630933584e+00  2.71280049658673e-12
2.25461923847696e+00 9.53166332846584e+00  1.94708367646821e-12
2.27766332665331e+00 9.75386217076438e+00  1.38831117758030e-12
2.30070741482966e+00 9.98124083570429e+00  9.83242225209214e-13
2.32375150300601e+00 1.02139200735214e+01  6.91577246025935e-13
2.34679559118237e+00 1.04520234493391e+01  4.83015635844093e-13
2.36983967935872e+00 1.06956774087886e+01  3.34930460329188e-13
2.39288376753507e+00 1.09450113451578e+01  2.30543262497845e-13
2.41592785571142e+00 1.12001576681060e+01  1.57501453965406e-13
2.43897194388778e+00 1.14612518739810e+01  1.06777467166447e-13
2.46201603206413e+00 1.17284326177747e+01  7.18231778674031e-14
2.48506012024048e+00 1.20018417867561e+01  4.79253164488453e-14
2.50810420841684e+00 1.22816245758212e+01  3.17179003418829e-14
2.53114829659319e+00 1.25679295645992e+01  2.08163617332330e-14
2.55419238476954e+00 1.28609087963566e+01  1.35452229151652e-14
2.57723647294589e+00 1.31607178587395e+01  8.73708178813561e-15
2.60028056112225e+00 1.34675159664000e+01  5.58549216929427e-15
2.62332464929860e+00 1.37814660455466e+01  3.53822136881778e-15
2.64636873747495e+00 1.41027348204678e+01  2.22048835799182e-15
2.66941282565130e+00 1.44314929020707e+01  1.38026041204887e-15
2.69245691382766e+00 1.47679148784851e+01  8.49628847762279e-16
2.71550100200401e+00 1.51121794077791e+01  5.17794341239760e-16
2.73854509018036e+00 1.54644693128356e+01  3.12353766309847e-16
2.76158917835672e+00 1.58249716784418e+01  1.86464647507181e-16
2.78463326653307e+00 1.61938779506405e+01  1.10129272228331e-16
2.80767735470942e+00 1.65713840383985e+01  6.43367282307184e-17
2.83072144288577e+00 1.69576904176451e+01  3.71668452850930e-17
2.85376553106213e+00 1.73530022377347e+01  2.12266097913638e-17
2.87680961923848e+00 1.77575294303930e+01  1.19817018665851e-17
2.89985370741483e+00 1.81714868212014e+01  6.68268569884445e-18
2.92289779559118e+00 1.85950942436809e+01  3.68177180693843e-18
2.94594188376754e+00 1.90285766560359e+01  2.00314105148656e-18
2.96898597194389e+00 1.94721642606183e+01  1.07593828664702e-18
2.99203006012024e+00 1.99260926261780e+01  5.70365734976595e-19
3.01507414829659e+00 2.03906028129623e+01  2.98315227084389e-19
3.03811823647295e+00 2.08659415007313e+01  1.53891811430735e-19
3.06116232464930e+00 2.13523611197589e+01  7.82766208028214e-20
3.08420641282565e+00 2.18501199848860e+01  3.92447527760432e-20
3.10725050100200e+00 2.23594824326999e+01  1.93875705758474e-20
3.13029458917836e+00 2.28807189619113e+01  9.43421953726441e-21
3.15333867735471e+00 2.34141063770030e+01  4.52036629284689e-21
3.17638276553106e+00 2.39599279352286e+01  2.13190114434093e-21
3.19942685370742e+00 2.45184734970368e+01  9.89289429800189e-22
3.22247094188377e+00 2.50900396800028e+01  4.51518871920665e-22
3.24551503006012e+00 2.56749300163486e+01  2.02606894793466e-22
3.26855911823647e+00 2.62734551141341e+01  8.93478150959250e-23
3.29160320641283e+00 2.68859328222072e+01  3.87067456852708e-23
3.31464729458918e+00 2.75126883989982e+01  1.64656861861635e-23
3.33769138276553e+00 2.81540546852498e+01  6.87506113829982e-24
3.36073547094188e+00 2.88103722807726e+01  2.81634130416915e-24
3.38377955911824e+00 2.94819897253228e+01  1.13138153085905e-24
3.40682364729459e+00 3.01692636836949e+01  4.45496323180420e-25
3.42986773547094e+00 3.08725591351295e+01  1.71860319246722e-25
3.45291182364730e+00 3.15922495671376e+01  6.49183033768049e-26
3.47595591182365e+00 3.23287171738417e+01  2.39955789346967e-26
3.49900000000000e+00 3.30823530589418e+01  8.67065158837808e-27
density.PCC>