openmx-data 3.7.6-2 / usr / share / openmx / DFT_DATA13 / VPS / Sr_CA13.vps

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

#
# File Name
#

System.CurrentDir    ./             # default=./
System.Name            Sr_CA13
Log.print             OFF            # ON|OFF

System.UseRestartfile  yes           # NO|YES, default=NO
System.Restartfile     Sr_CA13       # default=null

#
# Calculation type
#

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

#
# Atom
#

AtomSpecies             38
max.occupied.N           5
total.electron        38.0
valence.electron      10.0 
<occupied.electrons 
 1   2.0
 2   2.0  6.0
 3   2.0  6.0  10.0
 4   2.0  6.0   0.0  0.0
 5   2.0  0.0   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              3.6           # default= 2.5 rmax(a.u.)=exp(grid.xmax)
grid.num             12000           # 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  0.600         # 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              6
<pseudo.NandL
 0  4  0  1.40  0.0   
 1  4  1  1.40  0.0   
 2  4  2  1.50  0.0  
 3  4  3  1.70  0.0  
 4  5  0  2.60  0.0  
 5  5  1  3.10  0.0  
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           1.90          # 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            100          # default=50
<log.deri.R
 0  3.1 3.1
 1  3.1 3.1
 2  3.1 3.1
 3  3.1 3.1
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              0.25          # 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     10.0           # 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       60.000           # default=20.000 (Hartree)
num.of.partition     3200            # 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=-2463.4025339549526 (Hartree)  NormRD=8880.2573128206695
 SCF=   2  Eeigen=-2219.3381055533828 (Hartree)  NormRD=8449.8247656318144
 SCF=   3  Eeigen=-2215.9465653955144 (Hartree)  NormRD=8087.5544188545291
 SCF=   4  Eeigen=-2208.3099195409336 (Hartree)  NormRD=1972.3873197899395
 SCF=   5  Eeigen=-1936.9942521152516 (Hartree)  NormRD=279.2256335926605
 SCF=   6  Eeigen=-1885.4225993445025 (Hartree)  NormRD= 39.6107823371064
 SCF=   7  Eeigen=-1889.3848634215194 (Hartree)  NormRD=  5.7980667979609
 SCF=   8  Eeigen=-1887.3352877349325 (Hartree)  NormRD=  0.8667187285888
 SCF=   9  Eeigen=-1887.3087844890240 (Hartree)  NormRD=  0.1318701801678
 SCF=  10  Eeigen=-1887.2386653712135 (Hartree)  NormRD=  0.0202244138860
 SCF=  11  Eeigen=-1887.2437274743163 (Hartree)  NormRD=  0.0031239361011
 SCF=  12  Eeigen=-1887.2460542693957 (Hartree)  NormRD=  0.0004838219157
 SCF=  13  Eeigen=-1887.2488762534033 (Hartree)  NormRD=  0.0000750721885
 SCF=  14  Eeigen=-1887.2503668663501 (Hartree)  NormRD=  0.0000116521457
 SCF=  15  Eeigen=-1887.2511713739023 (Hartree)  NormRD=  0.0000018084466
 SCF=  16  Eeigen=-1887.2515671128717 (Hartree)  NormRD=  0.0000002805401
 SCF=  17  Eeigen=-1887.2517584806978 (Hartree)  NormRD=  0.0000000434959
 SCF=  18  Eeigen=-1887.2518486205670 (Hartree)  NormRD=  0.0000000067399
 SCF=  19  Eeigen=-1887.2518905364648 (Hartree)  NormRD=  0.0000000010439
 SCF=  20  Eeigen=-1887.2519097878449 (Hartree)  NormRD=  0.0000000001616
 SCF=  21  Eeigen=-1887.2519185537035 (Hartree)  NormRD=  0.0000000000250
 SCF=  22  Eeigen=-1887.2519191940473 (Hartree)  NormRD=  0.0000000000204
 SCF=  23  Eeigen=-1887.2519192086434 (Hartree)  NormRD=  0.0000000000203
 SCF=  24  Eeigen=-1887.2519192146458 (Hartree)  NormRD=  0.0000000000202
 SCF=  25  Eeigen=-1887.2519192206444 (Hartree)  NormRD=  0.0000000000202
 SCF=  26  Eeigen=-1887.2519192266348 (Hartree)  NormRD=  0.0000000000201
 SCF=  27  Eeigen=-1887.2519192326215 (Hartree)  NormRD=  0.0000000000201
 SCF=  28  Eeigen=-1887.2519192385980 (Hartree)  NormRD=  0.0000000000200
 SCF=  29  Eeigen=-1887.2519192445789 (Hartree)  NormRD=  0.0000000000200
 SCF=  30  Eeigen=-1887.2519192505408 (Hartree)  NormRD=  0.0000000000200
 SCF=  31  Eeigen=-1887.2519192565067 (Hartree)  NormRD=  0.0000000000199
 SCF=  32  Eeigen=-1887.2519192624698 (Hartree)  NormRD=  0.0000000000199
 SCF=  33  Eeigen=-1887.2519192684197 (Hartree)  NormRD=  0.0000000000198
 SCF=  34  Eeigen=-1887.2519192743678 (Hartree)  NormRD=  0.0000000000198
 SCF=  35  Eeigen=-1887.2519192803118 (Hartree)  NormRD=  0.0000000000198
 SCF=  36  Eeigen=-1887.2519192862485 (Hartree)  NormRD=  0.0000000000197
 SCF=  37  Eeigen=-1887.2519192921802 (Hartree)  NormRD=  0.0000000000197
 SCF=  38  Eeigen=-1887.2519192981051 (Hartree)  NormRD=  0.0000000000196
 SCF=  39  Eeigen=-1887.2519193040214 (Hartree)  NormRD=  0.0000000000196
 SCF=  40  Eeigen=-1887.2519193099404 (Hartree)  NormRD=  0.0000000000196
 SCF=  41  Eeigen=-1887.2519193158505 (Hartree)  NormRD=  0.0000000000195
 SCF=  42  Eeigen=-1887.2519193217490 (Hartree)  NormRD=  0.0000000000195
 SCF=  43  Eeigen=-1887.2519193276535 (Hartree)  NormRD=  0.0000000000194
 SCF=  44  Eeigen=-1887.2519193335418 (Hartree)  NormRD=  0.0000000000194
 SCF=  45  Eeigen=-1887.2519193394344 (Hartree)  NormRD=  0.0000000000194
 SCF=  46  Eeigen=-1887.2519193453093 (Hartree)  NormRD=  0.0000000000193
 SCF=  47  Eeigen=-1887.2519193511932 (Hartree)  NormRD=  0.0000000000193
 SCF=  48  Eeigen=-1887.2519193570643 (Hartree)  NormRD=  0.0000000000193
 SCF=  49  Eeigen=-1887.2519193629323 (Hartree)  NormRD=  0.0000000000192
 SCF=  50  Eeigen=-1887.2519193687897 (Hartree)  NormRD=  0.0000000000192
 SCF=  51  Eeigen=-1887.2519193746468 (Hartree)  NormRD=  0.0000000000191
 SCF=  52  Eeigen=-1887.2519193804965 (Hartree)  NormRD=  0.0000000000191
 SCF=  53  Eeigen=-1887.2519193863379 (Hartree)  NormRD=  0.0000000000191
 SCF=  54  Eeigen=-1887.2519193921808 (Hartree)  NormRD=  0.0000000000190
 SCF=  55  Eeigen=-1887.2519193980193 (Hartree)  NormRD=  0.0000000000190
 SCF=  56  Eeigen=-1887.2519194038402 (Hartree)  NormRD=  0.0000000000189
 SCF=  57  Eeigen=-1887.2519194096676 (Hartree)  NormRD=  0.0000000000189
 SCF=  58  Eeigen=-1887.2519194154802 (Hartree)  NormRD=  0.0000000000189
 SCF=  59  Eeigen=-1887.2519194212962 (Hartree)  NormRD=  0.0000000000188
 SCF=  60  Eeigen=-1887.2519194271040 (Hartree)  NormRD=  0.0000000000000

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

                         j=l+1/2                j=l-1/2
 n=  1  l=  0      -584.1906205057592     -584.1906205057592
 n=  2  l=  0       -79.0620453358399      -79.0620453358399
 n=  2  l=  1       -69.4843606111321      -71.9895282190441
 n=  3  l=  0       -12.1967255795402      -12.1967255795402
 n=  3  l=  1        -9.2471694248936       -9.6318593682008
 n=  3  l=  2        -4.6634508576579       -4.7305303554747
 n=  4  l=  0        -1.4978767727899       -1.4978767727899
 n=  4  l=  1        -0.8219294673927       -0.8651476948875
 n=  5  l=  0        -0.1337463084651       -0.1337463084651


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

 Eeigen =    -1887.2519194271040
 Ekin   =     3279.2214104628933
 EHart  =     1324.7080195562203
 Exc    =     -101.5167805973049
 Eec    =    -7681.3497226922973
 Etot   = Ekin + EHart + Exc + Eec
 Etot   =    -3178.9370732704888


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

j.dependent.pseudo.potentials   on

<VPS> L=0, dif of log deris for all electrons = 40227.3328124593 40227.3328124593
<VPS> L=0, dif of log deris for semi local    = 34788.9783464270 34788.9783464270
<VPS> L=1, dif of log deris for all electrons =   48.2930378760    9.9272124922
<VPS> L=1, dif of log deris for semi local    = 2810.5028306672 4326.3607229891
<VPS> L=2, dif of log deris for all electrons =    0.1640574222    0.0891133227
<VPS> L=2, dif of log deris for semi local    =    0.3250424510    0.1214381918
<VPS> L=3, dif of log deris for all electrons =   17.7191288781   16.6718229560
<VPS> L=3, dif of log deris for semi local    =    4.9791687181    4.5316358043

<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
 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
 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  -1.05257936362640e+01   -3.85286464253850e+00 -3.85286464253850e+00  5.91763494909384e+00 5.91763494909384e+00  -5.26130372701598e-03 2.11131241538754e-03  -1.33880819312457e-03 -1.51592329677221e-03  -6.13420934897971e-07 -7.46118943356641e-07  9.14735816913184e-07 9.89197842332034e-07  -1.34883785579995e-06 -1.30329208613114e-06  2.14390664765387e-06 2.02885606355091e-06  -3.61976421772217e-11 -3.62220296220694e-11  1.05854659398729e-10 1.05903744268670e-10  -2.08137740237767e-10 -2.08187016950666e-10  3.50867057921769e-10 3.50736472314399e-10
-8.97475150300601e+00 1.26565385361405e-04  -1.05257936362640e+01   -3.85286447599311e+00 -3.85286447599311e+00  5.91763495947097e+00 5.91763495947097e+00  -5.39583489012009e-03 2.16529851575303e-03  -1.37304143731070e-03 -1.55468536312706e-03  -6.45192275156209e-07 -7.84763204547840e-07  9.62113369949502e-07 1.04043205923547e-06  -1.41869915970795e-06 -1.37079440609678e-06  2.25494750610766e-06 2.13393802653589e-06  -3.90459623314017e-11 -3.90722687755511e-11  1.14184151086869e-10 1.14237098347126e-10  -2.24515683220387e-10 -2.24568837419305e-10  3.78476085755643e-10 3.78335224627614e-10
-8.94950300601202e+00 1.29801654659704e-04  -1.05257936362640e+01   -3.85286430082048e+00 -3.85286430082048e+00  5.91763497038858e+00 5.91763497038858e+00  -5.53380600249272e-03 2.22066503500338e-03  -1.40815002342684e-03 -1.59443857309226e-03  -6.78609170665175e-07 -8.25408994992379e-07  1.01194478172980e-06 1.09431988577397e-06  -1.49217883897253e-06 -1.44179292091520e-06  2.37173958133100e-06 2.24446257305382e-06  -4.21184111060068e-11 -4.21467875516753e-11  1.23169073828418e-10 1.23226187402759e-10  -2.42182373800972e-10 -2.42239710597523e-10  4.08257612801732e-10 4.08105667592851e-10
-8.92425450901804e+00 1.33120675169491e-04  -1.05257936362640e+01   -3.85286411657396e+00 -3.85286411657396e+00  5.91763498187458e+00 5.91763498187458e+00  -5.67530502307685e-03 2.27744727017320e-03  -1.44415633390839e-03 -1.63520827014273e-03  -7.13756850815380e-07 -8.68159981290598e-07  1.06435714667081e-06 1.15099876220161e-06  -1.56946430262861e-06 -1.51646871144146e-06  2.49458075009439e-06 2.36071159461921e-06  -4.54326247339709e-11 -4.54632340654383e-11  1.32861002182163e-10 1.32922609909509e-10  -2.61239220950330e-10 -2.61301069464751e-10  4.40382588677073e-10 4.40218687203165e-10
-8.89900601202405e+00 1.36524562834272e-04  -1.05257936362640e+01   -3.85286392278353e+00 -3.85286392278353e+00  5.91763499395835e+00 5.91763499395835e+00  -5.82042215989248e-03 2.33568142082490e-03  -1.48108332350767e-03 -1.67702044578392e-03  -7.50724959342183e-07 -9.13125199318878e-07  1.11948414187835e-06 1.21061324731071e-06  -1.65075266631671e-06 -1.59501223737645e-06  2.62378431730503e-06 2.48298158294804e-06  -4.90076272080948e-11 -4.90406451266789e-11  1.43315569005669e-10 1.43382024521930e-10  -2.81795613308124e-10 -2.81862328558465e-10  4.75035414681670e-10 4.74858616128130e-10
-8.87375751503006e+00 1.40015487702099e-04  -1.05257936362640e+01   -3.85286371895489e+00 -3.85286371895489e+00  5.91763500667076e+00 5.91763500667076e+00  -5.96924992754330e-03 2.39540461212504e-03  -1.51895453392831e-03 -1.71990175612185e-03  -7.89607782960980e-07 -9.60419332324232e-07  1.17746636808913e-06 1.27331538712720e-06  -1.73625125502380e-06 -1.67762382303185e-06  2.75967981508696e-06 2.61158438615582e-06  -5.28639394810885e-11 -5.28995555136918e-11  1.54592784794675e-10 1.54664469562661e-10  -3.03969547087015e-10 -3.04041512026979e-10  5.12415002284437e-10 5.12224291805836e-10
-8.84850901803607e+00 1.43595675309025e-04  -1.05257936362640e+01   -3.85286350456816e+00 -3.85286350456816e+00  5.91763502004431e+00 5.91763502004431e+00  -6.12188320619362e-03 2.45665491851089e-03  -1.55779410883343e-03 -1.76387953885689e-03  -8.30504491844248e-07 -1.01016300342244e-06  1.23845170827101e-06 1.33926510270199e-06  -1.82617813186297e-06 -1.76451416825466e-06  2.90261384324814e-06 2.74684800412206e-06  -5.70236972583452e-11 -5.70621158453627e-11  1.66757382150668e-10 1.66834707649734e-10  -3.27888303385307e-10 -3.27965931102463e-10  5.52735914899273e-10 5.52530197794030e-10
-8.82326052104208e+00 1.47267408097924e-04  -1.05257936362640e+01   -3.85286327907658e+00 -3.85286327907658e+00  5.91763503411318e+00 5.91763503411318e+00  -6.27841930205283e-03 2.51947138796159e-03  -1.59762680923758e-03 -1.80898183071201e-03  -8.73519392553745e-07 -1.06248308324569e-06  1.30259570479661e-06 1.40863059798751e-06  -1.92076265424039e-06 -1.85590488581422e-06  3.05295095327850e-06 2.88911742504931e-06  -6.15107780595895e-11 -6.15522197284214e-11  1.79879187353900e-10 1.79962597441887e-10  -3.53689178795964e-10 -3.53772914882907e-10  5.96229599505167e-10 5.96007694931817e-10
-8.79801202404810e+00 1.51033026873598e-04  -1.05257936362640e+01   -3.85286304190494e+00 -3.85286304190494e+00  5.91763504891330e+00 5.91763504891330e+00  -6.43895800940668e-03 2.58389406689021e-03  -1.63847802929244e-03 -1.85523738530665e-03  -9.18762194073018e-07 -1.11751301352448e-06  1.37006195615203e-06 1.48158878883965e-06  -2.02024605882830e-06 -1.95202906662269e-06  3.21107457813349e-06 3.03875550535080e-06  -6.63509382787536e-11 -6.63956409096595e-11  1.94033521174755e-10 1.94123494635787e-10  -3.81520273505773e-10 -3.81610598617887e-10  6.43145715180026e-10 6.42906349379048e-10
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3.59900000000000e+00 3.65616545022534e+01  -2.73510598346489e-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  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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1.62961723446894e+00 5.10192150505486e+00  3.40128992808001e-09
1.65486573146293e+00 5.23237733136150e+00  3.07869275227357e-09
1.68011422845691e+00 5.36616890530764e+00  2.77406242037154e-09
1.70536272545090e+00 5.50338152175996e+00  2.48672250575035e-09
1.73061122244489e+00 5.64410265656978e+00  2.21663561989006e-09
1.75585971943888e+00 5.78842202234066e+00  1.96407665059505e-09
1.78110821643287e+00 5.93643162562207e+00  1.72940290214461e-09
1.80635671342685e+00 6.08822582556539e+00  1.51290027127730e-09
1.83160521042084e+00 6.24390139407985e+00  1.31468831720772e-09
1.85685370741483e+00 6.40355757752659e+00  1.13467017568771e-09
1.88210220440882e+00 6.56729615999023e+00  9.72515724627956e-10
1.90735070140281e+00 6.73522152816831e+00  8.27668531269823e-10
1.93259919839679e+00 6.90744073791996e+00  6.99368918538986e-10
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1.98309619238477e+00 7.26520266263540e+00  4.88561123592339e-10
2.00834468937876e+00 7.45097345814848e+00  4.03837354209105e-10
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2.15983567134269e+00 8.66971285912554e+00  1.09683489428995e-10
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2.21033266533066e+00 9.11874938030530e+00  6.66740879661297e-11
2.23558116232465e+00 9.35191525400844e+00  5.13491480150170e-11
2.26082965931864e+00 9.59104316509109e+00  3.92193813650214e-11
2.28607815631263e+00 9.83628556249077e+00  2.97042212623172e-11
2.31132665330661e+00 1.00877987932552e+01  2.23071173385369e-11
2.33657515030060e+00 1.03457432022167e+01  1.66086272704503e-11
2.36182364729459e+00 1.06102832342153e+01  1.22587262209918e-11
2.38707214428858e+00 1.08815875389357e+01  8.96878536663340e-12
2.41232064128257e+00 1.11598290784250e+01  6.50358567923959e-12
2.43756913827655e+00 1.14451852373593e+01  4.67364895240584e-12
2.46281763527054e+00 1.17378379361304e+01  3.32808904823349e-12
2.48806613226453e+00 1.20379737468233e+01  2.34811558433839e-12
2.51331462925852e+00 1.23457840121603e+01  1.64126219945254e-12
2.53856312625251e+00 1.26614649674855e+01  1.13636206402322e-12
2.56381162324649e+00 1.29852178658689e+01  7.79255467808702e-13
2.58906012024048e+00 1.33172491064094e+01  5.29186869694459e-13
2.61430861723447e+00 1.36577703658186e+01  3.55830688031021e-13
2.63955711422846e+00 1.40069987333687e+01  2.36874929599377e-13
2.66480561122245e+00 1.43651568492918e+01  1.56087923478702e-13
2.69005410821643e+00 1.47324730467170e+01  1.01794398812657e-13
2.71530260521042e+00 1.51091814972382e+01  6.56915051030922e-14
2.74055110220441e+00 1.54955223602026e+01  4.19418888376822e-14
2.76579959919840e+00 1.58917419358175e+01  2.64886005380926e-14
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2.81629659318637e+00 1.67148340762723e+01  1.02176890648643e-14
2.84154509018036e+00 1.71422313791979e+01  6.23809606158802e-15
2.86679358717435e+00 1.75805572054767e+01  3.76406296705454e-15
2.89204208416834e+00 1.80300909967942e+01  2.24421375205837e-15
2.91729058116233e+00 1.84911193401430e+01  1.32180206250755e-15
2.94253907815631e+00 1.89639361505277e+01  7.68866663643885e-16
2.96778757515030e+00 1.94488428583421e+01  4.41571136216442e-16
2.99303607214429e+00 1.99461486015369e+01  2.50318555152813e-16
3.01828456913828e+00 2.04561704227019e+01  1.40023457897519e-16
3.04353306613227e+00 2.09792334711865e+01  7.72665574492124e-17
3.06878156312625e+00 2.15156712103896e+01  4.20463055837792e-17
3.09403006012024e+00 2.20658256303494e+01  2.25562555526189e-17
3.11927855711423e+00 2.26300474657683e+01  1.19250789049343e-17
3.14452705410822e+00 2.32086964196145e+01  6.21094412513652e-18
3.16977555110221e+00 2.38021413924392e+01  3.18564870216754e-18
3.19502404809619e+00 2.44107607175586e+01  1.60849077769205e-18
3.22027254509018e+00 2.50349424022489e+01  7.99191622067122e-19
3.24552104208417e+00 2.56750843751093e+01  3.90589662627771e-19
3.27076953907816e+00 2.63315947397492e+01  1.87693098521501e-19
3.29601803607214e+00 2.70048920349628e+01  8.86437229055560e-20
3.32126653306613e+00 2.76954055015562e+01  4.11270591194358e-20
3.34651503006012e+00 2.84035753559970e+01  1.87369643413524e-20
3.37176352705411e+00 2.91298530710615e+01  8.37858115049318e-21
3.39701202404810e+00 2.98747016636577e+01  3.67563791648672e-21
3.42226052104209e+00 3.06385959900082e+01  1.58114601920315e-21
3.44750901803607e+00 3.14220230483806e+01  6.66605446733898e-22
3.47275751503006e+00 3.22254822895590e+01  2.75295086836312e-22
3.49800601202405e+00 3.30494859352540e+01  1.11309016839267e-22
3.52325450901804e+00 3.38945593046544e+01  4.40381099842244e-23
3.54850300601202e+00 3.47612411493295e+01  1.70393408097875e-23
3.57375150300601e+00 3.56500839966934e+01  6.44405342935742e-24
3.59900000000000e+00 3.65616545022534e+01  2.38071059894284e-24
density.PCC>