openmx-data 3.7.6-1 / usr / share / openmx / DFT_DATA13 / VPS / Mg_CA13.vps

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

#
# File Name
#

System.CurrrentDir    ./             # default=./
System.Name            Mg_CA13
Log.print              OFF           # ON|OFF

System.UseRestartfile  yes           # NO|YES, default=NO
System.Restartfile     Mg_CA13      # default=null

#
# Calculation type
#

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

#
# Atom
#

AtomSpecies             12
max.occupied.N           3
total.electron        12.0
valence.electron       8.0 
<occupied.electrons 
 1   2.0
 2   2.0  6.0
 3   2.0  0.0  0.0
occupied.electrons>

#
# parameters for solving 1D-differential equations
#

grid.xmin             -8.5           # default=-7.0 rmin(a.u.)=exp(grid.xmin)
grid.xmax              3.5           # 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  0.800         # 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              5
<pseudo.NandL
 0  2  1  1.10  0.0
 1  3  0  2.20  0.0
 2  3  1  2.00 -0.6
 3  3  2  1.00  0.0
 4  4  0  2.60  0.0
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           1.20          # default=smallest_cutoff_vps
local.origin.ratio     2.60          # 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             60          # default=50
<log.deri.R
 0  3.0 3.0
 1  2.8 2.8
 2  2.8 2.8
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              0.325         # default=1.0     
pcc.ratio.origin       2.0           # 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    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       40.000           # default=20.000 (Hartree)
num.of.partition     1200            # default=300
matching.point.ratio  0.67           # default=0.67














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

 SCF=   1  Eeigen=-109.0265671698783 (Hartree)  NormRD=  0.0293954355514
 SCF=   2  Eeigen=-109.0371131600606 (Hartree)  NormRD=  0.0211227614940
 SCF=   3  Eeigen=-109.0349646152847 (Hartree)  NormRD=  0.0209662042146
 SCF=   4  Eeigen=-108.7513311001672 (Hartree)  NormRD=  0.0051573677539
 SCF=   5  Eeigen=-108.6252124849809 (Hartree)  NormRD=  0.0005890735401
 SCF=   6  Eeigen=-108.5975977318749 (Hartree)  NormRD=  0.0000391978369
 SCF=   7  Eeigen=-108.5920497443556 (Hartree)  NormRD=  0.0000016495142
 SCF=   8  Eeigen=-108.5916803412895 (Hartree)  NormRD=  0.0000000546929
 SCF=   9  Eeigen=-108.5914037609296 (Hartree)  NormRD=  0.0000000017382
 SCF=  10  Eeigen=-108.5914534038830 (Hartree)  NormRD=  0.0000000000881
 SCF=  11  Eeigen=-108.5914129071723 (Hartree)  NormRD=  0.0000000000056
 SCF=  12  Eeigen=-108.5914142842503 (Hartree)  NormRD=  0.0000000000044
 SCF=  13  Eeigen=-108.5914143011738 (Hartree)  NormRD=  0.0000000000044
 SCF=  14  Eeigen=-108.5914143180562 (Hartree)  NormRD=  0.0000000000044
 SCF=  15  Eeigen=-108.5914143349065 (Hartree)  NormRD=  0.0000000000044
 SCF=  16  Eeigen=-108.5914143517239 (Hartree)  NormRD=  0.0000000000044
 SCF=  17  Eeigen=-108.5914143685095 (Hartree)  NormRD=  0.0000000000044
 SCF=  18  Eeigen=-108.5914143852631 (Hartree)  NormRD=  0.0000000000044
 SCF=  19  Eeigen=-108.5914144019846 (Hartree)  NormRD=  0.0000000000044
 SCF=  20  Eeigen=-108.5914144186736 (Hartree)  NormRD=  0.0000000000043
 SCF=  21  Eeigen=-108.5914144353308 (Hartree)  NormRD=  0.0000000000043
 SCF=  22  Eeigen=-108.5914144519560 (Hartree)  NormRD=  0.0000000000043
 SCF=  23  Eeigen=-108.5914144685494 (Hartree)  NormRD=  0.0000000000043
 SCF=  24  Eeigen=-108.5914144851114 (Hartree)  NormRD=  0.0000000000043
 SCF=  25  Eeigen=-108.5914145016409 (Hartree)  NormRD=  0.0000000000043
 SCF=  26  Eeigen=-108.5914145181394 (Hartree)  NormRD=  0.0000000000043
 SCF=  27  Eeigen=-108.5914145346060 (Hartree)  NormRD=  0.0000000000042
 SCF=  28  Eeigen=-108.5914145510412 (Hartree)  NormRD=  0.0000000000042
 SCF=  29  Eeigen=-108.5914145674446 (Hartree)  NormRD=  0.0000000000042
 SCF=  30  Eeigen=-108.5914145838168 (Hartree)  NormRD=  0.0000000000042
 SCF=  31  Eeigen=-108.5914146001579 (Hartree)  NormRD=  0.0000000000042
 SCF=  32  Eeigen=-108.5914146164668 (Hartree)  NormRD=  0.0000000000042
 SCF=  33  Eeigen=-108.5914146327455 (Hartree)  NormRD=  0.0000000000042
 SCF=  34  Eeigen=-108.5914146489921 (Hartree)  NormRD=  0.0000000000042
 SCF=  35  Eeigen=-108.5914146652083 (Hartree)  NormRD=  0.0000000000041
 SCF=  36  Eeigen=-108.5914146813926 (Hartree)  NormRD=  0.0000000000041
 SCF=  37  Eeigen=-108.5914146975465 (Hartree)  NormRD=  0.0000000000041
 SCF=  38  Eeigen=-108.5914147136690 (Hartree)  NormRD=  0.0000000000041
 SCF=  39  Eeigen=-108.5914147297606 (Hartree)  NormRD=  0.0000000000041
 SCF=  40  Eeigen=-108.5914147458221 (Hartree)  NormRD=  0.0000000000041
 SCF=  41  Eeigen=-108.5914147618520 (Hartree)  NormRD=  0.0000000000041
 SCF=  42  Eeigen=-108.5914147778514 (Hartree)  NormRD=  0.0000000000041
 SCF=  43  Eeigen=-108.5914147938200 (Hartree)  NormRD=  0.0000000000040
 SCF=  44  Eeigen=-108.5914148097586 (Hartree)  NormRD=  0.0000000000040
 SCF=  45  Eeigen=-108.5914148256657 (Hartree)  NormRD=  0.0000000000040
 SCF=  46  Eeigen=-108.5914148415426 (Hartree)  NormRD=  0.0000000000040
 SCF=  47  Eeigen=-108.5914148573890 (Hartree)  NormRD=  0.0000000000040
 SCF=  48  Eeigen=-108.5914148732058 (Hartree)  NormRD=  0.0000000000040
 SCF=  49  Eeigen=-108.5914148889909 (Hartree)  NormRD=  0.0000000000040
 SCF=  50  Eeigen=-108.5914149047464 (Hartree)  NormRD=  0.0000000000040
 SCF=  51  Eeigen=-108.5914149204720 (Hartree)  NormRD=  0.0000000000039
 SCF=  52  Eeigen=-108.5914149361673 (Hartree)  NormRD=  0.0000000000039
 SCF=  53  Eeigen=-108.5914149518321 (Hartree)  NormRD=  0.0000000000039
 SCF=  54  Eeigen=-108.5914149674671 (Hartree)  NormRD=  0.0000000000039
 SCF=  55  Eeigen=-108.5914149830720 (Hartree)  NormRD=  0.0000000000039
 SCF=  56  Eeigen=-108.5914149986476 (Hartree)  NormRD=  0.0000000000039
 SCF=  57  Eeigen=-108.5914150141925 (Hartree)  NormRD=  0.0000000000039
 SCF=  58  Eeigen=-108.5914150297078 (Hartree)  NormRD=  0.0000000000039
 SCF=  59  Eeigen=-108.5914150451936 (Hartree)  NormRD=  0.0000000000039
 SCF=  60  Eeigen=-108.5914150606494 (Hartree)  NormRD=  0.0000000000000

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

                         j=l+1/2                j=l-1/2
 n=  1  l=  0       -46.0553902266805      -46.0553902266805
 n=  2  l=  0        -2.9125167416290       -2.9125167416290
 n=  2  l=  1        -1.7119953112905       -1.7225922790742
 n=  3  l=  0        -0.1759191764682       -0.1759191764682


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

 Eeigen =     -108.5914150606494
 Ekin   =      199.5310542209854
 EHart  =       95.8348091911260
 Exc    =      -15.4809704639263
 Eec    =     -479.3480878500590
 Etot   = Ekin + EHart + Exc + Eec
 Etot   =     -199.4631949018739


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

j.dependent.pseudo.potentials   on

<VPS> L=0, dif of log deris for all electrons =    1.0193041535    1.0193041535
<VPS> L=0, dif of log deris for semi local    = 4923.5053205686 4923.5053205686
<VPS> L=1, dif of log deris for all electrons =    7.1942815709    4.9589437217
<VPS> L=1, dif of log deris for semi local    =  522.7150930851  496.6260646031
<VPS> L=2, dif of log deris for all electrons =  107.0594490664  119.8649054876
<VPS> L=2, dif of log deris for semi local    =   89.1972050265   94.2863913589

<project.energies
 7
 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
project.energies>

<Pseudo.Potentials
-8.50000000000000e+00 2.03468369010644e-04  -1.73263666730240e+01   -3.04892800995887e-01 -3.04892800995887e-01  3.34560086943850e+00 3.34560086943850e+00  2.10941581172617e-02 2.11839771181394e-02  -2.42627018248808e-02 -2.43528040316656e-02  -7.60396738509201e-06 -7.53440207421140e-06  -3.60132430995063e-06 -3.47921482775595e-06  -1.77800720782076e-05 -1.77799787100752e-05
-8.47595390781563e+00 2.08420286699490e-04  -1.73263666730240e+01   -3.04893156648573e-01 -3.04893156648573e-01  3.34560089836660e+00 3.34560089836660e+00  2.16075375823883e-02 2.16995425543796e-02  -2.48531939601371e-02 -2.49454890190607e-02  -7.97859484368113e-06 -7.90560223306572e-06  -3.77875210618293e-06 -3.65062661156174e-06  -1.86560491475762e-05 -1.86559511799236e-05
-8.45190781563126e+00 2.13492721837393e-04  -1.73263666730240e+01   -3.04893529824359e-01 -3.04893529824359e-01  3.34560092872030e+00 3.34560092872030e+00  2.21334114168229e-02 2.22276555609487e-02  -2.54580570575628e-02 -2.55525983362522e-02  -8.37167920754495e-06 -8.29509044319323e-06  -3.96492130392769e-06 -3.83048340387547e-06  -1.95751832646203e-05 -1.95750804708904e-05
-8.42786172344689e+00 2.18688607521477e-04  -1.73263666730240e+01   -3.04893921386505e-01 -3.04893921386505e-01  3.34560096056983e+00 3.34560096056983e+00  2.26720837012258e-02 2.27686215132794e-02  -2.60776408590473e-02 -2.61744830238932e-02  -8.78412979929258e-06 -8.70376770821598e-06  -4.16026256904744e-06 -4.01920126806866e-06  -2.05396006593541e-05 -2.05394928018321e-05
-8.40381563126252e+00 2.24010948233207e-04  -1.73263666730240e+01   -3.04894332240874e-01 -3.04894332240874e-01  3.34560099398888e+00 3.34560099398888e+00  2.32238659167216e-02 2.33227532187801e-02  -2.67123036174487e-02 -2.68115026652075e-02  -9.21690074140218e-06 -9.13257942177109e-06  -4.36522778517596e-06 -4.21721676585916e-06  -2.15515323151105e-05 -2.15514191443759e-05
-8.37976953907816e+00 2.29462821575707e-04  -1.73263666730240e+01   -3.04894763337870e-01 -3.04894763337870e-01  3.34560102905476e+00 3.34560102905476e+00  2.37890771250013e-02 2.38903710977029e-02  -2.73624123036627e-02 -2.74640255938287e-02  -9.67099316338584e-06 -9.58251755448329e-06  -4.58029109906160e-06 -4.42498796721044e-06  -2.26133191294169e-05 -2.26132003837667e-05
-8.35572344689379e+00 2.35047380053363e-04  -1.73263666730240e+01   -3.04895215674780e-01 -3.04895215674780e-01  3.34560106584860e+00 3.34560106584860e+00  2.43680441528052e-02 2.44718033684126e-02  -2.80283428187263e-02 -2.81324291066917e-02  -1.01474575176951e-05 -1.00546229486831e-05  -4.80595001741186e-06 -4.64299550998590e-06  -2.37274173291280e-05 -2.37272927339725e-05
-8.33167735470942e+00 2.40767852894732e-04  -1.73263666730240e+01   -3.04895690298038e-01 -3.04895690298038e-01  3.34560110445552e+00 3.34560110445552e+00  2.49611017808959e-02 2.50673862371645e-02  -2.87104802110804e-02 -2.88170996821010e-02  -1.06473960097239e-05 -1.05499877261792e-05  -5.04272655777657e-06 -4.87174371180960e-06  -2.48964041523440e-05 -2.48962734195722e-05
-8.30763126252505e+00 2.46627547919822e-04  -1.73263666730240e+01   -3.04896188305568e-01 -3.04896188305568e-01  3.34560114496485e+00 3.34560114496485e+00  2.55685929376298e-02 2.56774640924992e-02  -2.94092188991112e-02 -2.95184332030976e-02  -1.11719651475313e-05 -1.10697578146541e-05  -5.29116845613196e-06 -5.11176173670525e-06  -2.61229838102551e-05 -2.61228466375697e-05
-8.28358517034068e+00 2.52629853452811e-04  -1.73263666730240e+01   -3.04896710849466e-01 -3.04896710849466e-01  3.34560118747029e+00 3.34560118747029e+00  2.61908688972382e-02 2.63023897043692e-02  -3.01249628991043e-02 -3.02368351862615e-02  -1.17223784171801e-05 -1.16151355985281e-05  -5.55185043395913e-06 -5.36360481921253e-06  -2.74099937427055e-05 -2.74098498129244e-05
-8.25953907815631e+00 2.58778240281321e-04  -1.73263666730240e+01   -3.04897259138528e-01 -3.04897259138528e-01  3.34560123207018e+00 3.34560123207018e+00  2.68282894829347e-02 2.69425244281096e-02  -3.08581260587377e-02 -3.09727210160688e-02  -1.22999090898829e-05 -1.21873827004237e-05  -5.82537552774815e-06 -5.62785554881223e-06  -2.87604111819446e-05 -2.87602601622689e-05
-8.23549298597194e+00 2.65076263663375e-04  -1.73263666730240e+01   -3.04897834441130e-01 -3.04897834441130e-01  3.34560127886771e+00 3.34560127886771e+00  2.74812232749624e-02 2.75982384133728e-02  -3.16091322962521e-02 -3.17265161849520e-02  -1.29058931674462e-05 -1.27878228996629e-05  -6.11237648400315e-06 -5.90512521763163e-06  -3.01773600397506e-05 -3.01772015809955e-05
-8.21144689378758e+00 2.71527565383197e-04  -1.73263666730240e+01   -3.04898438088148e-01 -3.04898438088148e-01  3.34560132797114e+00 3.34560132797114e+00  2.81500478237066e-02 2.82699108181473e-02  -3.23784158454338e-02 -3.24986565391913e-02  -1.35417324728287e-05 -1.34178451945519e-05  -6.41351722297552e-06 -6.19605523454768e-06  -3.16641181338550e-05 -3.16639518696443e-05
-8.18740080160321e+00 2.78135875857047e-04  -1.73263666730239e+01   -3.04899071475995e-01 -3.04899071475995e-01  3.34560137949406e+00 3.34560137949406e+00  2.88351498679907e-02 2.89579300279836e-02  -3.31664215065516e-02 -3.32895885307825e-02  -1.42088978929613e-05 -1.40789070155335e-05  -6.72949437451148e-06 -6.50131860895930e-06  -3.32241247703870e-05 -3.32239503163069e-05
-8.16335470941884e+00 2.84905016290305e-04  -1.73263666730239e+01   -3.04899736069918e-01 -3.04899736069918e-01  3.34560143355567e+00 3.34560143355567e+00  2.95369255586848e-02 2.96626938805550e-02  -3.39736049033911e-02 -3.40997694754263e-02  -1.49089327813308e-05 -1.47725375966424e-05  -7.06103888956638e-06 -6.82162150766103e-06  -3.48609886998723e-05 -3.48608056525842e-05
-8.13930861723447e+00 2.91838900887055e-04  -1.73263666730239e+01   -3.04900433407311e-01 -3.04900433407311e-01  3.34560149028104e+00 3.34560149028104e+00  3.02557806877555e-02 3.03846098956821e-02  -3.48004327465376e-02 -3.49296678167872e-02  -1.56434565281983e-05 -1.55003415130613e-05  -7.40891773111417e-06 -7.15770488841974e-06  -3.65784964651947e-05 -3.65783044015041e-05
-8.11526252505010e+00 2.98941539113444e-04  -1.73263666730239e+01   -3.04901165101323e-01 -3.04901165101323e-01  3.34560154980139e+00 3.34560154980139e+00  3.09921309228881e-02 3.11240955109545e-02  -3.56473831030535e-02 -3.57797633971744e-02  -1.64141683067115e-05 -1.62640023929612e-05  -7.77393564836338e-06 -7.51034621403327e-06  -3.83806211608254e-05 -3.83804196367053e-05
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3.35472344689379e+00 2.86376832552185e+01  -2.79352206302291e-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
3.37876953907816e+00 2.93346537522477e+01  -2.72714996683896e-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
3.40281563126252e+00 3.00485867901850e+01  -2.66235482440870e-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
3.42686172344689e+00 3.07798951953914e+01  -2.59909916843135e-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
3.45090781563126e+00 3.15290018414024e+01  -2.53734642180269e-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
3.47495390781563e+00 3.22963398934507e+01  -2.47706087646459e-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
3.49900000000000e+00 3.30823530589417e+01  -2.41820767275713e-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
Pseudo.Potentials>


***********************************************************
**            Core electron densities for PCC            **
***********************************************************
<density.PCC
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2.65738677354709e+00 1.42589784296729e+01  1.29298067416044e-14
2.68143286573146e+00 1.46060067557665e+01  8.14784764902270e-15
2.70547895791583e+00 1.49614808944200e+01  5.08200556203569e-15
2.72952505010020e+00 1.53256063958561e+01  3.13672329113139e-15
2.75357114228457e+00 1.56985938128829e+01  1.91544725593811e-15
2.77761723446894e+00 1.60806588226435e+01  1.15695846746530e-15
2.80166332665331e+00 1.64720223513302e+01  6.91060481829901e-16
2.82570941883768e+00 1.68729107019334e+01  4.08092422848501e-16
2.84975551102204e+00 1.72835556850996e+01  2.38196256919381e-16
2.87380160320641e+00 1.77041947531737e+01  1.37382482693835e-16
2.89784769539078e+00 1.81350711375046e+01  7.82762953122824e-17
2.92189378757515e+00 1.85764339890915e+01  4.40463768507575e-17
2.94593987975952e+00 1.90285385226539e+01  2.44706529704185e-17
2.96998597194389e+00 1.94916461642071e+01  1.34186104999044e-17
2.99403206412826e+00 1.99660247022305e+01  7.26044271339266e-18
3.01807815631263e+00 2.04519484425133e+01  3.87503109296543e-18
3.04212424849699e+00 2.09496983667708e+01  2.03940162897844e-18
3.06617034068136e+00 2.14595622951191e+01  1.05803660044415e-18
3.09021643286573e+00 2.19818350525054e+01  5.40903397168382e-19
3.11426252505010e+00 2.25168186391881e+01  2.72399483366940e-19
3.13830861723447e+00 2.30648224053661e+01  1.35083532832635e-19
3.16235470941884e+00 2.36261632300583e+01  6.59394458385379e-20
3.18640080160321e+00 2.42011657043365e+01  3.16716517353705e-20
3.21044689378757e+00 2.47901623190178e+01  1.49629429607523e-20
3.23449298597194e+00 2.53934936569246e+01  6.95038288878134e-21
3.25853907815631e+00 2.60115085898242e+01  3.17296657508182e-21
3.28258517034068e+00 2.66445644801615e+01  1.42299251228118e-21
3.30663126252505e+00 2.72930273877007e+01  6.26658464613921e-22
3.33067735470942e+00 2.79572722811968e+01  2.70867338765831e-22
3.35472344689379e+00 2.86376832552185e+01  1.14863328263478e-22
3.37876953907816e+00 2.93346537522477e+01  4.77641459982660e-23
3.40281563126252e+00 3.00485867901850e+01  1.94675170609730e-23
3.42686172344689e+00 3.07798951953914e+01  7.77310285439182e-24
3.45090781563126e+00 3.15290018414024e+01  3.03904207010738e-24
3.47495390781563e+00 3.22963398934507e+01  1.16283412353235e-24
3.49900000000000e+00 3.30823530589417e+01  4.35230277879225e-25
density.PCC>