openmx-data 3.7.6-1 / usr / share / openmx / DFT_DATA13 / VPS / Zn_PBE13H.vps

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

#
# File Name
#

System.CurrrentDir    ./             # default=./
System.Name            Zn_PBE13H
Log.print             OFF            # ON|OFF

System.UseRestartfile  yes           # NO|YES, default=NO
System.Restartfile     Zn_PBE13H      # default=null

#
# Calculation type
#

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

#
# Atom
#

AtomSpecies             30
max.occupied.N           4
total.electron        30.0
valence.electron      20.0 
<occupied.electrons 
 1   2.0
 2   2.0  6.0
 3   2.0  6.0 10.0
 4   2.0  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              3.2           # 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  0.700         # default=0.800 
scf.Mixing.History      7            # default=5
scf.Mixing.StartPulay   4            # default=6
scf.criterion         1.0e-14        # default=1.0e-9

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

vps.type               MBK           # BHS|TM        
number.vps              8
<pseudo.NandL
 0  3  0  1.30  0.0 
 1  3  1  1.40  0.0 
 2  3  2  1.40  0.0 
 3  4  0  1.70  0.0 
 4  4  1  2.20  0.6 
 5  4  2  2.00  0.40 
 6  4  3  1.20  0.0 
 7  5  0  2.40  0.4 
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           1.30          # default=smallest_cutoff_vps
local.origin.ratio     2.40          # 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  2.9 2.9
 1  2.9 2.9
 2  2.9 2.9
 3  2.9 2.9
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              0.06          # 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      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       60.000           # default=20.000 (Hartree)
num.of.partition     2200            # default=300
matching.point.ratio  0.67           # default=0.67











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

 SCF=   1  Eeigen=-1051.8555394241650 (Hartree)  NormRD= 12.1632214740547
 SCF=   2  Eeigen=-1046.8594424101411 (Hartree)  NormRD= 15.0645204477437
 SCF=   3  Eeigen=-1046.8441541365964 (Hartree)  NormRD= 15.0438364345479
 SCF=   4  Eeigen=-1033.5484698861876 (Hartree)  NormRD=  1.4679760625560
 SCF=   5  Eeigen=-1048.3357874653739 (Hartree)  NormRD=  0.7318712485490
 SCF=   6  Eeigen=-1026.6821785556197 (Hartree)  NormRD=  1.5244779273988
 SCF=   7  Eeigen=-1038.5013467338181 (Hartree)  NormRD=  0.0091175935693
 SCF=   8  Eeigen=-1038.4805556058091 (Hartree)  NormRD=  0.0046777859114
 SCF=   9  Eeigen=-1038.3906630587458 (Hartree)  NormRD=  0.0010163278216
 SCF=  10  Eeigen=-1038.3232424336179 (Hartree)  NormRD=  0.0001434490315
 SCF=  11  Eeigen=-1038.3449922091868 (Hartree)  NormRD=  0.0000136307389
 SCF=  12  Eeigen=-1038.3058554005279 (Hartree)  NormRD=  0.0000055249676
 SCF=  13  Eeigen=-1038.3663598143669 (Hartree)  NormRD=  0.0000099813823
 SCF=  14  Eeigen=-1038.3347534462544 (Hartree)  NormRD=  0.0000001805844
 SCF=  15  Eeigen=-1038.3310468504869 (Hartree)  NormRD=  0.0000000274150
 SCF=  16  Eeigen=-1038.3306452904944 (Hartree)  NormRD=  0.0000000127339
 SCF=  17  Eeigen=-1038.3307474938690 (Hartree)  NormRD=  0.0000000024283
 SCF=  18  Eeigen=-1038.3307150970363 (Hartree)  NormRD=  0.0000000002346
 SCF=  19  Eeigen=-1038.3308150768844 (Hartree)  NormRD=  0.0000000000423
 SCF=  20  Eeigen=-1038.3307844219876 (Hartree)  NormRD=  0.0000000000177
 SCF=  21  Eeigen=-1038.3307838936646 (Hartree)  NormRD=  0.0000000000173
 SCF=  22  Eeigen=-1038.3307838194651 (Hartree)  NormRD=  0.0000000000173
 SCF=  23  Eeigen=-1038.3307837455377 (Hartree)  NormRD=  0.0000000000172
 SCF=  24  Eeigen=-1038.3307836718907 (Hartree)  NormRD=  0.0000000000172
 SCF=  25  Eeigen=-1038.3307835985045 (Hartree)  NormRD=  0.0000000000171
 SCF=  26  Eeigen=-1038.3307835253850 (Hartree)  NormRD=  0.0000000000171
 SCF=  27  Eeigen=-1038.3307834525485 (Hartree)  NormRD=  0.0000000000170
 SCF=  28  Eeigen=-1038.3307833799611 (Hartree)  NormRD=  0.0000000000170
 SCF=  29  Eeigen=-1038.3307833076547 (Hartree)  NormRD=  0.0000000000169
 SCF=  30  Eeigen=-1038.3307832356120 (Hartree)  NormRD=  0.0000000000169
 SCF=  31  Eeigen=-1038.3307831638319 (Hartree)  NormRD=  0.0000000000168
 SCF=  32  Eeigen=-1038.3307830923147 (Hartree)  NormRD=  0.0000000000168
 SCF=  33  Eeigen=-1038.3307830210586 (Hartree)  NormRD=  0.0000000000167
 SCF=  34  Eeigen=-1038.3307829500675 (Hartree)  NormRD=  0.0000000000166
 SCF=  35  Eeigen=-1038.3307828793270 (Hartree)  NormRD=  0.0000000000166
 SCF=  36  Eeigen=-1038.3307828088509 (Hartree)  NormRD=  0.0000000000165
 SCF=  37  Eeigen=-1038.3307827386286 (Hartree)  NormRD=  0.0000000000165
 SCF=  38  Eeigen=-1038.3307826686653 (Hartree)  NormRD=  0.0000000000164
 SCF=  39  Eeigen=-1038.3307825989639 (Hartree)  NormRD=  0.0000000000164
 SCF=  40  Eeigen=-1038.3307825295253 (Hartree)  NormRD=  0.0000000000163
 SCF=  41  Eeigen=-1038.3307824603396 (Hartree)  NormRD=  0.0000000000163
 SCF=  42  Eeigen=-1038.3307823914081 (Hartree)  NormRD=  0.0000000000162
 SCF=  43  Eeigen=-1038.3307823227369 (Hartree)  NormRD=  0.0000000000162
 SCF=  44  Eeigen=-1038.3307822543113 (Hartree)  NormRD=  0.0000000000162
 SCF=  45  Eeigen=-1038.3307821861356 (Hartree)  NormRD=  0.0000000000161
 SCF=  46  Eeigen=-1038.3307821182125 (Hartree)  NormRD=  0.0000000000161
 SCF=  47  Eeigen=-1038.3307820505431 (Hartree)  NormRD=  0.0000000000160
 SCF=  48  Eeigen=-1038.3307819831202 (Hartree)  NormRD=  0.0000000000160
 SCF=  49  Eeigen=-1038.3307819159497 (Hartree)  NormRD=  0.0000000000159
 SCF=  50  Eeigen=-1038.3307818490264 (Hartree)  NormRD=  0.0000000000159
 SCF=  51  Eeigen=-1038.3307817823404 (Hartree)  NormRD=  0.0000000000158
 SCF=  52  Eeigen=-1038.3307817159116 (Hartree)  NormRD=  0.0000000000158
 SCF=  53  Eeigen=-1038.3307816497131 (Hartree)  NormRD=  0.0000000000157
 SCF=  54  Eeigen=-1038.3307815837629 (Hartree)  NormRD=  0.0000000000157
 SCF=  55  Eeigen=-1038.3307815180619 (Hartree)  NormRD=  0.0000000000156
 SCF=  56  Eeigen=-1038.3307814526015 (Hartree)  NormRD=  0.0000000000156
 SCF=  57  Eeigen=-1038.3307813873832 (Hartree)  NormRD=  0.0000000000155
 SCF=  58  Eeigen=-1038.3307813224042 (Hartree)  NormRD=  0.0000000000155
 SCF=  59  Eeigen=-1038.3307812576618 (Hartree)  NormRD=  0.0000000000154
 SCF=  60  Eeigen=-1038.3307811931613 (Hartree)  NormRD=  0.0000000000000

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

                         j=l+1/2                j=l-1/2
 n=  1  l=  0      -349.6310985176766     -349.6310985176766
 n=  2  l=  0       -42.4997571133062      -42.4997571133062
 n=  2  l=  1       -36.5546652908124      -37.4305679372701
 n=  3  l=  0        -4.7402385406762       -4.7402385406762
 n=  3  l=  1        -3.0227053303349       -3.1351061710195
 n=  3  l=  2        -0.3654917858709       -0.3785417598466
 n=  4  l=  0        -0.2196454664724       -0.2196454664724


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

 Eeigen =    -1038.3307811931613
 Ekin   =     1831.1216115792449
 EHart  =      779.6845832872087
 Exc    =      -71.6002871911628
 Eec    =    -4336.0067431685757
 Etot   = Ekin + EHart + Exc + Eec
 Etot   =    -1796.8008354932849


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

j.dependent.pseudo.potentials   on

<VPS> L=0, dif of log deris for all electrons =    5.1415518786    5.1415518786
<VPS> L=0, dif of log deris for semi local    = 700204.5643778202 700204.5643778202
<VPS> L=1, dif of log deris for all electrons =    2.5680874623    7.5492508298
<VPS> L=1, dif of log deris for semi local    =  747.4535187990 26400.7481637160
<VPS> L=2, dif of log deris for all electrons =   18.6547119372    1.1122018003
<VPS> L=2, dif of log deris for semi local    = 2260.4110282784 7174.8763877155
<VPS> L=3, dif of log deris for all electrons =    0.0006593992    0.0007604529
<VPS> L=3, dif of log deris for semi local    =    0.0001970722    0.0001974241

<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
 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
-8.20000000000000e+00 2.74653569972143e-04  -3.69392554270418e+01   5.24477825256050e+01 5.24477825256050e+01  -1.53639129345291e+01 -1.53639129345291e+01  1.19546169915858e+01 1.19546169915858e+01  1.01760449872944e-02 1.07547491968685e-02  3.24129323139268e-02 4.13447692046890e-02  -1.33272627806225e-05 -1.35188123983581e-05  -2.88113703746409e-05 -3.13438608418161e-05  -1.99276224236302e-09 -2.01033483450747e-09  4.85596691553798e-09 4.85734798455315e-09  -1.17044571164410e-08 -1.16909078785784e-08  2.57016263534387e-08 2.56329690132518e-08
-8.17715631262525e+00 2.80999880857508e-04  -3.69392554270418e+01   5.24477704386690e+01 5.24477704386690e+01  -1.53639032515930e+01 -1.53639032515930e+01  1.19546168531382e+01 1.19546168531382e+01  1.04111785726362e-02 1.10032546497262e-02  3.31618812659336e-02 4.23001014691338e-02  -1.39502736448960e-05 -1.41507776407312e-05  -3.01582151623293e-05 -3.28090919268880e-05  -2.13411660385979e-09 -2.15293568817822e-09  5.20041949478302e-09 5.20189852840482e-09  -1.25346996487803e-08 -1.25201893109649e-08  2.75247422891350e-08 2.74512148179586e-08
-8.15431262525050e+00 2.87492833426279e-04  -3.69392554270418e+01   5.24477577871298e+01 5.24477577871298e+01  -1.53638931143495e+01 -1.53638931143495e+01  1.19546167119964e+01 1.19546167119964e+01  1.06517452766891e-02 1.12575021983306e-02  3.39281356124982e-02 4.32775078674637e-02  -1.46024084440578e-05 -1.48122854079544e-05  -3.15680207007415e-05 -3.43428179487191e-05  -2.28549777763754e-09 -2.30565177264735e-09  5.56930542811823e-09 5.57088937536328e-09  -1.34238344851878e-08 -1.34082948729078e-08  2.94771788401737e-08 2.93984357809677e-08
-8.13146893787575e+00 2.94135816069552e-04  -3.69392554270418e+01   5.24477445445844e+01 5.24477445445844e+01  -1.53638825015988e+01 -1.53638825015988e+01  1.19546165679503e+01 1.19546165679503e+01  1.08978706389773e-02 1.15176245215165e-02  3.47120952032552e-02 4.42774984331560e-02  -1.52850286354059e-05 -1.55047167250646e-05  -3.30437301887811e-05 -3.59482408103693e-05  -2.44761700417923e-09 -2.46920060026443e-09  5.96435786742822e-09 5.96605417023488e-09  -1.43760390819308e-08 -1.43593971847973e-08  3.15681092080665e-08 3.14837805992215e-08
-8.10862525050100e+00 3.00932295472632e-04  -3.69392554270418e+01   5.24477306833961e+01 5.24477306833961e+01  -1.53638713911486e+01 -1.53638713911486e+01  1.19546164207814e+01 1.19546164207814e+01  1.11496830997181e-02 1.17837573637705e-02  3.55141691256417e-02 4.53005949830725e-02  -1.59995593201790e-05 -1.62295171757614e-05  -3.45884244080873e-05 -3.76287120910109e-05  -2.62123597498298e-09 -2.64435057928181e-09  6.38743290368251e-09 6.38924953187585e-09  -1.53957872180007e-08 -1.53779648467215e-08  3.38073572835658e-08 3.37170469207045e-08
-8.08578156312625e+00 3.07885818424145e-04  -3.69392554270418e+01   5.24477161746372e+01 5.24477161746372e+01  -1.53638597597657e+01 -1.53638597597657e+01  1.19546162702697e+01 1.19546162702697e+01  1.14073140668358e-02 1.20560396060551e-02  3.63347759182504e-02 4.63473313896039e-02  -1.67474922187000e-05 -1.69881999203106e-05  -3.62053281543132e-05 -3.93877400425093e-05  -2.80717041124305e-09 -2.83192462409306e-09  6.84051828746367e-09 6.84246377620072e-09  -1.64878700143476e-08 -1.64687834333684e-08  3.62054438022805e-08 3.61087273767624e-08
-8.06293787575150e+00 3.15000013666949e-04  -3.69392554270418e+01   5.24477009880256e+01 5.24477009880256e+01  -1.53638475831376e+01 -1.53638475831376e+01  1.19546161161704e+01 1.19546161161704e+01  1.16708979845432e-02 1.23346133382898e-02  3.71743437891225e-02 4.74182538591151e-02  -1.75303887846050e-05 -1.77823488545307e-05  -3.78978169690148e-05 -4.12289969130381e-05  -3.00629389638440e-09 -3.03280402156364e-09  7.32574276809343e-09 7.32782625796444e-09  -1.76574184441933e-08 -1.76369779782807e-08  3.87736357746686e-08 3.86700588800512e-08
-8.04009418837675e+00 3.22278593791823e-04  -3.69392554270418e+01   5.24476850918663e+01 5.24476850918663e+01  -1.53638348358068e+01 -1.53638348358068e+01  1.19546159582454e+01 1.19546159582454e+01  1.19405724034698e-02 1.26196239334688e-02  3.80333108390471e-02 4.85139212167756e-02  -1.83498834646344e-05 -1.86136219164355e-05  -3.96694241862052e-05 -4.31563266130173e-05  -3.21954198044497e-09 -3.24793257160656e-09  7.84538609518328e-09 7.84761737515775e-09  -1.89099274398816e-08 -1.88880370527999e-08  4.15239994215366e-08 4.14130754186309e-08
-8.01725050100200e+00 3.29725357174906e-04  -3.69392554270418e+01   5.24476684529814e+01 5.24476684529814e+01  -1.53638214911294e+01 -1.53638214911294e+01  1.19546157962375e+01 1.19546157962375e+01  1.22164780524497e-02 1.29112201235298e-02  3.89121252900442e-02 4.96349051980022e-02  -1.92076871108248e-05 -1.94837545474643e-05  -4.15238483082775e-05 -4.51737527393716e-05  -3.44791657560587e-09 -3.47832102147312e-09  8.40188972966782e-09 8.40427928308667e-09  -2.02512817099215e-08 -2.02278385532232e-08  4.44694568652004e-08 4.43506645956832e-08
-7.99440681362725e+00 3.37344189959903e-04  -3.69392554270418e+01   5.24476510366422e+01 5.24476510366422e+01  -1.53638075212167e+01 -1.53638075212167e+01  1.19546156298759e+01 1.19546156298759e+01  1.24987589119459e-02 1.32095540769538e-02  3.98112457191022e-02 5.07817907466038e-02  -2.01055905521975e-05 -2.03945633155052e-05  -4.34649607266915e-05 -4.72854869748559e-05  -3.69249066350808e-09 -3.72505181457986e-09  8.99786831459169e-09 9.00042736842197e-09  -2.16877833872120e-08 -2.16626773170225e-08  4.76238468415228e-08 4.74966281793707e-08
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3.10762525050100e+00 2.23678632077870e+01  -8.94139945994336e-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
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3.15331262525050e+00 2.34134963982093e+01  -8.54208173720547e-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
3.17615631262525e+00 2.39545027542217e+01  -8.34916099209609e-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
3.19900000000000e+00 2.45080099290896e+01  -8.16059731258426e-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
Pseudo.Potentials>


***********************************************************
**            Core electron densities for PCC            **
***********************************************************
<density.PCC
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1.91975350701403e+00 6.81927735807004e+00  1.37760509977973e-10
1.94259719438878e+00 6.97684768978733e+00  1.08233141085159e-10
1.96544088176353e+00 7.13805893653620e+00  8.45569231315478e-11
1.98828456913828e+00 7.30299522749328e+00  6.56798734921017e-11
2.01112825651303e+00 7.47174263577462e+00  5.07169700491838e-11
2.03397194388778e+00 7.64438922335358e+00  3.89276615896238e-11
2.05681563126252e+00 7.82102508701653e+00  2.96958492256704e-11
2.07965931863727e+00 8.00174240538049e+00  2.25120921287802e-11
2.10250300601202e+00 8.18663548699713e+00  1.69578340917851e-11
2.12534669338677e+00 8.37580081956835e+00  1.26914768562731e-11
2.14819038076152e+00 8.56933712029904e+00  9.43614814911135e-12
2.17103406813627e+00 8.76734538741328e+00  6.96902539541671e-12
2.19387775551102e+00 8.96992895286101e+00  5.11208363997795e-12
2.21672144288577e+00 9.17719353624245e+00  3.72414032248920e-12
2.23956513026052e+00 9.38924729997861e+00  2.69407239638007e-12
2.26240881763527e+00 9.60620090575658e+00  1.93508344641832e-12
2.28525250501002e+00 9.82816757227906e+00  1.37990212365041e-12
2.30809619238477e+00 1.00552631343483e+01  9.76797655790209e-13
2.33093987975952e+00 1.02876061033154e+01  6.86304301752921e-13
2.35378356713427e+00 1.05253177289260e+01  4.78553996977944e-13
2.37662725450902e+00 1.07685220625955e+01  3.31124827337511e-13
2.39947094188377e+00 1.10173460221460e+01  2.27322047230094e-13
2.42231462925852e+00 1.12719194580394e+01  1.54817733086587e-13
2.44515831663327e+00 1.15323752211404e+01  1.04584483397404e-13
2.46800200400802e+00 1.17988492320461e+01  7.00675533439734e-14
2.49084569138277e+00 1.20714805520167e+01  4.65482241824300e-14
2.51368937875751e+00 1.23504114555455e+01  3.06589007527915e-14
2.53653306613226e+00 1.26357875046062e+01  2.00173051534961e-14
2.55937675350701e+00 1.29277576246152e+01  1.29531635782794e-14
2.58222044088176e+00 1.32264741821491e+01  8.30596829836960e-15
2.60506412825651e+00 1.35320930644585e+01  5.27678156452946e-15
2.62790781563126e+00 1.38447737608189e+01  3.32070176768096e-15
2.65075150300601e+00 1.41646794457610e+01  2.06960371397759e-15
2.67359519038076e+00 1.44919770642244e+01  1.27718246117281e-15
2.69643887775551e+00 1.48268374186792e+01  7.80254166930464e-16
2.71928256513026e+00 1.51694352582604e+01  4.71783466487693e-16
2.74212625250501e+00 1.55199493699616e+01  2.82277295706905e-16
2.76496993987976e+00 1.58785626719366e+01  1.67084427289975e-16
2.78781362725451e+00 1.62454623089560e+01  9.78182745003572e-17
2.81065731462926e+00 1.66208397500706e+01  5.66268248015222e-17
2.83350100200401e+00 1.70048908885302e+01  3.24066224163966e-17
2.85634468937876e+00 1.73978161440122e+01  1.83291686143331e-17
2.87918837675351e+00 1.77998205672117e+01  1.02431658264797e-17
2.90203206412826e+00 1.82111139468489e+01  5.65444467686543e-18
2.92487575150301e+00 1.86319109191484e+01  3.08239831516015e-18
2.94771943887776e+00 1.90624310798488e+01  1.65884626333135e-18
2.97056312625250e+00 1.95028990988003e+01  8.81078113544533e-19
2.99340681362725e+00 1.99535448372099e+01  4.61724194840578e-19
3.01625050100200e+00 2.04146034675960e+01  2.38658300642664e-19
3.03909418837675e+00 2.08863155965153e+01  1.21634996458823e-19
3.06193787575150e+00 2.13689273901242e+01  6.11065336765753e-20
3.08478156312625e+00 2.18626907026430e+01  3.02495848685430e-20
3.10762525050100e+00 2.23678632077870e+01  1.47504730141170e-20
3.13046893787575e+00 2.28847085332359e+01  7.08265058211942e-21
3.15331262525050e+00 2.34134963982093e+01  3.34760446211646e-21
3.17615631262525e+00 2.39545027542217e+01  1.55690655976656e-21
3.19900000000000e+00 2.45080099290896e+01  7.12228320952133e-22
density.PCC>