openmx-data 3.7.6-2 / usr / share / openmx / DFT_DATA13 / VPS / Zr_PBE13.vps

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

#
# File Name
#

System.CurrrentDir    ./             # default=./
System.Name            Zr_PBE13
Log.print             OFF            # ON|OFF

System.UseRestartfile  yes           # NO|YES, default=NO
System.Restartfile     Zr_PBE13       # default=null

#
# Calculation type
#

eq.type               dirac          # sch|sdirac|dirac 
calc.type             vps            # ALL|VPS|PAO
xc.type               GGA            # 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      -653.9012881249539     -653.9012881249539
 n=  2  l=  0       -90.5471631477749      -90.5471631477749
 n=  2  l=  1       -79.7502259524245      -82.8990740102029
 n=  3  l=  0       -14.8301545028233      -14.8301545028233
 n=  3  l=  1       -11.4793327396915      -11.9804209018180
 n=  3  l=  2        -6.3566825087182       -6.4480793459765
 n=  4  l=  0        -1.9957551448542       -1.9957551448542
 n=  4  l=  1        -1.1677591409907       -1.2327050099079
 n=  4  l=  2        -0.1293649272594       -0.1340577425016
 n=  5  l=  0        -0.1630316551090       -0.1630316551090


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

 Eeigen =    -2152.6905703593716
 Ekin   =     3726.6660111302467
 EHart  =     1483.3500029768197
 Exc    =     -114.4503109728729
 Eec    =    -8697.5121753264575
 Etot   = Ekin + EHart + Exc + Eec
 Etot   =    -3601.9464721922641


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

j.dependent.pseudo.potentials   on

<VPS> L=0, dif of log deris for all electrons =    0.0384988358    0.0384988358
<VPS> L=0, dif of log deris for semi local    =   39.3381653613   39.3381653613
<VPS> L=1, dif of log deris for all electrons = 23171.3860468683 286162.1933766875
<VPS> L=1, dif of log deris for semi local    = 35129.9193920164 265333.9906839845
<VPS> L=2, dif of log deris for all electrons =    0.0765596127    0.0579800074
<VPS> L=2, dif of log deris for semi local    =    0.1714527120    0.1172085808
<VPS> L=3, dif of log deris for all electrons =    3.9552011342    3.9631761581
<VPS> L=3, dif of log deris for semi local    =    7.4228390081    7.6539660210

<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   1.32619037086659e+01 1.32619037086659e+01  6.82552428601133e+00 6.82552428601133e+00  6.36655911007473e+00 6.36655911007473e+00  3.19500642718570e-03 3.33160603466176e-03  6.93928724203440e-03 7.18477313918214e-03  1.04707726503389e-02 1.08265241789843e-02  2.11243830498148e-06 2.14798127083729e-06  3.92067541826115e-07 4.06494382932930e-07  -4.04298946410806e-09 -4.02228527571189e-09  -1.28775657423925e-09 -1.23736738201843e-09  -1.02971282095614e-08 -1.03084862832000e-08
-8.17635470941884e+00 2.81225221567857e-04  -1.76447181726674e+01   1.32619005989409e+01 1.32619005989409e+01  6.82552440444171e+00 6.82552440444171e+00  6.36655916976886e+00 6.36655916976886e+00  3.27145352960585e-03 3.41132156338465e-03  7.10532396785251e-03 7.35668361946949e-03  1.07213074341797e-02 1.10855710492289e-02  2.21473634691248e-06 2.25200053403611e-06  4.11054041276910e-07 4.26179525514536e-07  -4.34019921145018e-09 -4.31797300901825e-09  -1.38242261552649e-09 -1.32832919423449e-09  -1.10540945305958e-08 -1.10662875631076e-08
-8.15270941883768e+00 2.87954113445210e-04  -1.76447181726674e+01   1.32618973386394e+01 1.32618973386394e+01  6.82552452861810e+00 6.82552452861810e+00  6.36655923236156e+00 6.36655923236156e+00  3.34972978633751e-03 3.49294445022120e-03  7.27533346427223e-03 7.53270741197693e-03  1.09778367789685e-02 1.13508161495557e-02  2.32198831712152e-06 2.36105707800510e-06  4.30959992133653e-07 4.46817952427028e-07  -4.65925755054092e-09 -4.63539744721689e-09  -1.48404778154938e-09 -1.42597782454218e-09  -1.18667072364615e-08 -1.18797966076407e-08
-8.12906412825651e+00 2.94844007901367e-04  -1.76447181726674e+01   1.32618939204682e+01 1.32618939204682e+01  6.82552465881851e+00 6.82552465881851e+00  6.36655929799300e+00 6.36655929799300e+00  3.42987896367047e-03 3.57652033264651e-03  7.44941078803244e-03 7.71294293618777e-03  1.12405041169740e-02 1.16224077854331e-02  2.43443411562548e-06 2.47539483919752e-06  4.51829920264071e-07 4.68455827952381e-07  -5.00177062282468e-09 -4.97615650668544e-09  -1.59314365396673e-09 -1.53080483669745e-09  -1.27390570239218e-08 -1.27531086257347e-08
-8.10541883767535e+00 3.01898757254192e-04  -1.76447181726674e+01   1.32618903367835e+01 1.32618903367835e+01  6.82552479533482e+00 6.82552479533482e+00  6.36655936681043e+00 6.36655936681043e+00  3.51194587509391e-03 3.66209594010701e-03  7.62765327030322e-03 7.89749096647698e-03  1.15094563123850e-02 1.19004978108514e-02  2.55232525979152e-06 2.59526956688366e-06  4.73710507767818e-07 4.91141551947353e-07  -5.36946264095783e-09 -5.34196557036954e-09  -1.71025942200210e-09 -1.64333793045810e-09  -1.36755353064110e-08 -1.36906198746962e-08
-8.08177354709419e+00 3.09122305996176e-04  -1.76447181726674e+01   1.32618865795685e+01 1.32618865795685e+01  6.82552493847248e+00 6.82552493847248e+00  6.36655943896783e+00 6.36655943896783e+00  3.59597640635258e-03 3.74971912014776e-03  7.81016057110453e-03 8.08645468845485e-03  1.17848437434206e-02 1.21852417132215e-02  2.67592544690713e-06 2.72094939518613e-06  4.96650697394723e-07 5.14925868104041e-07  -5.76418456849644e-09 -5.73466612302183e-09  -1.83598464706240e-09 -1.76414359802451e-09  -1.46808563204150e-08 -1.46970497909678e-08
-8.05812825651303e+00 3.16518692999909e-04  -1.76447181726674e+01   1.32618826404203e+01 1.32618826404203e+01  6.82552508855200e+00 6.82552508855200e+00  6.36655951462682e+00 6.36655951462682e+00  3.68201754110298e-03 3.83943886516552e-03  7.99703473502993e-03 8.27993975666206e-03  1.20668203864136e-02 1.24767987003161e-02  2.80551114399084e-06 2.85271544281442e-06  5.20701802019980e-07 5.39861977453498e-07  -6.18792343764662e-09 -6.15623502123594e-09  -1.97095223059045e-09 -1.89382997576174e-09  -1.57600808569337e-08 -1.57774647477670e-08
-8.03448296593186e+00 3.24092053776313e-04  -1.76447181726674e+01   1.32618785105278e+01 1.32618785105278e+01  6.82552524590927e+00 6.82552524590927e+00  6.36655959395702e+00 6.36655959395702e+00  3.77011738718316e-03 3.93130533980177e-03  8.18838024830263e-03 8.47805435364408e-03  1.23555439019039e-02 1.27753317892873e-02  2.94137220616376e-06 2.99086244184054e-06  5.45917619420656e-07 5.66005657365633e-07  -6.64281235198408e-09 -6.60879444494207e-09  -2.11584160009086e-09 -2.03304990555800e-09  -1.69186417374995e-08 -1.69373035592052e-08
-8.01083767535070e+00 3.31846622786916e-04  -1.76447181726674e+01   1.32618741806536e+01 1.32618741806536e+01  6.82552541089653e+00 6.82552541089653e+00  6.36655967713578e+00 6.36655967713578e+00  3.86032520351118e-03 4.02536990899108e-03  8.38430409719657e-03 8.68090925043893e-03  1.26511757227903e-02 1.30810078978141e-02  3.08381252496407e-06 3.13569939692172e-06  5.72354552610378e-07 5.93415386311916e-07  -7.13114122449574e-09 -7.09462258045889e-09  -2.27138212936771e-09 -2.18250422123043e-09  -1.81623711629944e-08 -1.81824048592715e-08
-7.98719238476954e+00 3.39786735811448e-04  -1.76447181726674e+01   1.32618696411131e+01 1.32618696411131e+01  6.82552558388300e+00 6.82552558388300e+00  6.36655976434933e+00 6.36655976434933e+00  3.95269142762713e-03 4.12168516668064e-03  8.58491582785557e-03 8.88861786851249e-03  1.29538811445930e-02 1.33939979374312e-02  3.23315070805506e-06 3.28755027644444e-06  6.00071736001335e-07 6.22152474669818e-07  -7.65536830499901e-09 -7.61616508888080e-09  -2.43835681019177e-09 -2.34294527652201e-09  -1.94975300729393e-08 -1.95190364935066e-08
-7.96354709418838e+00 3.47916832372088e-04  -1.76447181726674e+01   1.32618648817529e+01 1.32618648817529e+01  6.82552576525588e+00 6.82552576525588e+00  6.36655985579298e+00 6.36655985579298e+00  4.04726770389414e-03 4.22030496523706e-03  8.79032760754362e-03 9.10129634317552e-03  1.32638294178750e-02 1.37144769090900e-02  3.38972079184615e-06 3.44675473713546e-06  6.29131167675791e-07 6.52281201861553e-07  -8.21813255496738e-09 -8.17604741753193e-09  -2.61760619388008e-09 -2.51518073244934e-09  -2.09308396630513e-08 -2.09539270713248e-08
-7.93990180360721e+00 3.56241458215713e-04  -1.76447181726674e+01   1.32618598919269e+01 1.32618598919269e+01  6.82552595542100e+00 6.82552595542100e+00  6.36655995167150e+00 6.36655995167150e+00  4.14410691237427e-03 4.32128444555667e-03  9.00065428736105e-03 9.31906358851850e-03  1.35811938428754e-02 1.40426240010081e-02  3.55387298862032e-06 3.61366888375995e-06  6.59597848063113e-07 6.83868960133995e-07  -8.82226693205670e-09 -8.77708801646213e-09  -2.81003262262985e-09 -2.70007762306689e-09  -2.24695152197244e-08 -2.24942998378147e-08
-7.91625651302605e+00 3.64765267855546e-04  -1.76447181726674e+01   1.32618546604747e+01 1.32618546604747e+01  6.82552615480402e+00 6.82552615480402e+00  6.36656005219933e+00 6.36656005219933e+00  4.24326319839517e-03 4.42468006789632e-03  9.21601346646098e-03 9.54204136389969e-03  1.39061518664072e-02 1.43786226888584e-02  3.72597446983963e-06 3.78866606560591e-06  6.91539925332138e-07 7.16986405301184e-07  -9.47081265120653e-09 -9.42231252651708e-09  -3.01660477190710e-09 -2.89856672011446e-09  -2.41213024417583e-08 -2.41479090355327e-08
-7.89261122244489e+00 3.73493027173611e-04  -1.76447181726674e+01   1.32618491756948e+01 1.32618491756948e+01  6.82552636385104e+00 6.82552636385104e+00  6.36656015760150e+00 6.36656015760150e+00  4.34479200282427e-03 4.53054964344192e-03  9.43652555780236e-03 9.77035434202424e-03  1.42388851810723e-02 1.47226608383550e-02  3.90641018737925e-06 3.97213771153580e-06  7.25028847824466e-07 7.51707614786690e-07  -1.01670344941067e-08 -1.01149690104049e-08  -3.23836252675634e-09 -3.11164721851974e-09  -2.58945164321792e-08 -2.59230789393325e-08
-7.86896593186373e+00 3.82429616085463e-04  -1.76447181726674e+01   1.32618434253189e+01 1.32618434253189e+01  6.82552658302985e+00 6.82552658302985e+00  6.36656026811406e+00 6.36656026811406e+00  4.44875009306736e-03 4.63895236663220e-03  9.66231385547637e-03 1.00041301786523e-02  1.45795798268519e-02 1.50749308102954e-02  4.09558373452730e-06 4.16449420547264e-06  7.60139523869409e-07 7.88110253319403e-07  -1.09144372440960e-08 -1.08585443034316e-08  -3.47642221657853e-09 -3.34039176634220e-09  -2.77980835564316e-08 -2.78287457607280e-08
-7.84532064128256e+00 3.91580031268676e-04  -1.76447181726674e+01   1.32618373964855e+01 1.32618373964855e+01  6.82552681283096e+00 6.82552681283096e+00  6.36656038398423e+00 6.36656038398423e+00  4.55519559480889e-03 4.74994884825612e-03  9.89350460364406e-03 1.02434995839754e-02  1.49284262951281e-02 1.54356295681160e-02  4.29391824867542e-06 4.36616580427837e-06  7.96950489338140e-07 8.26275746653198e-07  -1.17167833292264e-08 -1.16567815662147e-08  -3.73198223472914e-09 -3.58595186447964e-09  -2.98415863776585e-08 -2.98745026327382e-08
-7.82167535070140e+00 4.00949388956609e-04  -1.76447181726674e+01   1.32618310757095e+01 1.32618310757095e+01  6.82552705376854e+00 6.82552705376854e+00  6.36656050547143e+00 6.36656050547143e+00  4.66418802451162e-03 4.86360114934192e-03  1.01302270671228e-02 1.04885963956997e-02  1.52856196351920e-02 1.58049587880188e-02  4.50185735771853e-06 4.57760360007685e-06  8.35544083311737e-07 8.66289463699109e-07  -1.25781117623079e-08 -1.25136991277359e-08  -4.00632907122495e-09 -3.84956366331845e-09  -3.20353118952721e-08 -3.20706479016671e-08
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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  7.91502238888190e-35 1.75389187565219e-35  -1.24530993738315e-34 -2.74445573877529e-35  1.55230804509299e-34 3.38501626237617e-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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1.75466733466934e+00 5.78152410938201e+00  2.25425043067026e-09
1.77831262525050e+00 5.91985896569913e+00  1.90312341881115e-09
1.80195791583166e+00 6.06150376799421e+00  1.59926292700952e-09
1.82560320641283e+00 6.20653771353299e+00  1.33772088954960e-09
1.84924849699399e+00 6.35504189453868e+00  1.11378524050775e-09
1.87289378757515e+00 6.50709934353275e+00  9.23029939540516e-10
1.89653907815631e+00 6.66279507976053e+00  7.61351570312990e-10
1.92018436873747e+00 6.82221615672766e+00  6.24991680461134e-10
1.94382965931864e+00 6.98545171087399e+00  5.10545643525658e-10
1.96747494989980e+00 7.15259301141200e+00  4.14959848423915e-10
1.99112024048096e+00 7.32373351135784e+00  3.35519559192870e-10
2.01476553106212e+00 7.49896889978329e+00  2.69829951200103e-10
2.03841082164329e+00 7.67839715531797e+00  2.15792715154187e-10
2.06205611222445e+00 7.86211860093178e+00  1.71580317307657e-10
2.08570140280561e+00 8.05023596002801e+00  1.35609598484310e-10
2.10934669338677e+00 8.24285441387866e+00  1.06515941305371e-10
2.13299198396794e+00 8.44008166043404e+00  8.31288115487272e-11
2.15663727454910e+00 8.64202797453940e+00  6.44491150057433e-11
2.18028256513026e+00 8.84880626959252e+00  4.96285351653087e-11
2.20392785571142e+00 9.06053216067646e+00  3.79508328281492e-11
2.22757314629258e+00 9.27732402920295e+00  2.88149868861843e-11
2.25121843687375e+00 9.49930308910250e+00  2.17200164961853e-11
2.27486372745491e+00 9.72659345459824e+00  1.62513262655643e-11
2.29850901803607e+00 9.95932220960135e+00  1.20684382952397e-11
2.32215430861723e+00 1.01976194787670e+01  8.89400233136905e-12
2.34579959919840e+00 1.04416185002504e+01  6.50399879891865e-12
2.36944488977956e+00 1.06914557002037e+01  4.71906489925553e-12
2.39309018036072e+00 1.09472707690553e+01  3.39688100031955e-12
2.41673547094188e+00 1.12092067396144e+01  2.42555364327846e-12
2.44038076152305e+00 1.14774100670445e+01  1.71792797612974e-12
2.46402605210421e+00 1.17520307107500e+01  1.20675582937565e-12
2.48767134268537e+00 1.20332222182226e+01  8.40640191133399e-13
2.51131663326653e+00 1.23211418108934e+01  5.80673110615013e-13
2.53496192384770e+00 1.26159504720399e+01  3.97682886518513e-13
2.55860721442886e+00 1.29178130367954e+01  2.70007909217955e-13
2.58225250501002e+00 1.32268982843128e+01  1.81718425599985e-13
2.60589779559118e+00 1.35433790321337e+01  1.21213322744652e-13
2.62954308617234e+00 1.38674322328145e+01  8.01261044386514e-14
2.65318837675351e+00 1.41992390728657e+01  5.24820241326084e-14
2.67683366733467e+00 1.45389850740577e+01  3.40563200576839e-14
2.70047895791583e+00 1.48868601971507e+01  2.18912330990570e-14
2.72412424849699e+00 1.52430589481071e+01  1.39366973935184e-14
2.74776953907816e+00 1.56077804868443e+01  8.78608503357636e-15
2.77141482965932e+00 1.59812287385904e+01  5.48406427163227e-15
2.79506012024048e+00 1.63636125079042e+01  3.38847247083565e-15
2.81870541082164e+00 1.67551455954229e+01  2.07214130339961e-15
2.84235070140281e+00 1.71560469174038e+01  1.25390743632833e-15
2.86599599198397e+00 1.75665406281258e+01  7.50682175983815e-16
2.88964128256513e+00 1.79868562452201e+01  4.44531157164403e-16
2.91328657314629e+00 1.84172287779995e+01  2.60322655134586e-16
2.93693186372745e+00 1.88578988588575e+01  1.50726934916956e-16
2.96057715430862e+00 1.93091128778131e+01  8.62664241198509e-17
2.98422244488978e+00 1.97711231202730e+01  4.87938547972731e-17
3.00786773547094e+00 2.02441879080914e+01  2.72683493853193e-17
3.03151302605210e+00 2.07285717440038e+01  1.50528473452948e-17
3.05515831663327e+00 2.12245454595182e+01  8.20612424751875e-18
3.07880360721443e+00 2.17323863663431e+01  4.41680922003817e-18
3.10244889779559e+00 2.22523784114403e+01  2.34649655797643e-18
3.12609418837675e+00 2.27848123357866e+01  1.23015473231823e-18
3.14973947895792e+00 2.33299858369347e+01  6.36230154597066e-19
3.17338476953908e+00 2.38882037354635e+01  3.24539871162286e-19
3.19703006012024e+00 2.44597781454114e+01  1.63231652285193e-19
3.22067535070140e+00 2.50450286487871e+01  8.09291730750421e-20
3.24432064128256e+00 2.56442824742561e+01  3.95412993022909e-20
3.26796593186373e+00 2.62578746801028e+01  1.90336224219138e-20
3.29161122244489e+00 2.68861483415705e+01  9.02391821800198e-21
3.31525651302605e+00 2.75294547426831e+01  4.21259300607537e-21
3.33890180360721e+00 2.81881535726574e+01  1.93580189523948e-21
3.36254709418838e+00 2.88626131270145e+01  8.75396196465110e-22
3.38619238476954e+00 2.95532105135035e+01  3.89452723680286e-22
3.40983767535070e+00 3.02603318629520e+01  1.70405521018732e-22
3.43348296593186e+00 3.09843725451620e+01  7.33097765743342e-23
3.45712825651303e+00 3.17257373899709e+01  3.09996720060519e-23
3.48077354709419e+00 3.24848409136032e+01  1.28804889321923e-23
3.50441883767535e+00 3.32621075504361e+01  5.25705284397799e-24
3.52806412825651e+00 3.40579718903128e+01  2.10680520313818e-24
3.55170941883767e+00 3.48728789215321e+01  8.28659153175163e-25
3.57535470941884e+00 3.57072842796532e+01  3.19666127460678e-25
3.59900000000000e+00 3.65616545022533e+01  1.20790122965786e-25
density.PCC>