openmx-data 3.7.6-1 / usr / share / openmx / DFT_DATA13 / VPS / Sm_CA13.vps

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

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

#
# File Name
#

System.CurrrentDir    ./             # default=./
System.Name           Sm_CA13
Log.print             OFF            # ON|OFF

System.UseRestartfile  yes           # NO|YES, default=NO
System.Restartfile    Sm_CA13       # default=null

#
# Calculation type
#

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

#
# Atom
#

AtomSpecies             62
max.occupied.N           6
total.electron        62.0
valence.electron      16.0 
<occupied.electrons 
 1   2.0
 2   2.0  6.0
 3   2.0  6.0  10.0
 4   2.0  6.0  10.0  6.0
 5   2.0  6.0   0.0  0.0  0.0
 6   2.0  0.0   0.0  0.0  0.0  0.0
occupied.electrons>

#
# parameters for solving 1D-differential equations
#

grid.xmin             -10.0          # default=-7.0 rmin(a.u.)=exp(grid.xmin)
grid.xmax              3.2           # default= 2.5 rmax(a.u.)=exp(grid.xmax)
grid.num             12000           # default=4000
grid.num.output       1000           # 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-13        # default=1.0e-9

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

vps.type              MBK            # BHS|TM        
number.vps              6
<pseudo.NandL 
 0  4  3  2.00  0.0
 1  5  0  1.40  0.0 
 2  5  1  1.60  0.0
 3  5  2  1.70  0.0  
 4  5  3  2.90  0.3
 5  6  0  2.90  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           1.90          # default=smallest_cutoff_vps
local.origin.ratio     2.50          # 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  3.0 3.0 
 1  3.0 3.0
 2  3.0 3.0
 3  3.0 3.0
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              0.3           # default=1.0     
pcc.ratio.origin      10.0           # default=6.0     

#
# Pseudo atomic orbitals
#

maxL.pao                4            # default=2
num.pao                15            # default=7 
radial.cutoff.pao      8.0           # 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     3000            # 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=-7087.3240118761887 (Hartree)  NormRD=71677.4283600626222
 SCF=   2  Eeigen=-7046.4055273650001 (Hartree)  NormRD=72455.7681289748580
 SCF=   3  Eeigen=-7047.1860040556930 (Hartree)  NormRD=72302.8621560335741
 SCF=   4  Eeigen=-7340.2946756553492 (Hartree)  NormRD=18428.1566148585189
 SCF=   5  Eeigen=-7392.8541140658126 (Hartree)  NormRD=2395.6860079130015
 SCF=   6  Eeigen=-6732.9099472826520 (Hartree)  NormRD=283.6417813974883
 SCF=   7  Eeigen=-5985.2546258219782 (Hartree)  NormRD=3823.9771397283134
 SCF=   8  Eeigen=-6027.2797745180123 (Hartree)  NormRD=358.2070902951089
 SCF=   9  Eeigen=-6088.5050942941034 (Hartree)  NormRD=299.7902825900227
 SCF=  10  Eeigen=-6414.3865411539564 (Hartree)  NormRD= 78.2560034665495
 SCF=  11  Eeigen=-6476.8116509653364 (Hartree)  NormRD= 19.0901773945038
 SCF=  12  Eeigen=-6460.2516563319814 (Hartree)  NormRD=  3.1173158103500
 SCF=  13  Eeigen=-6471.8199971524082 (Hartree)  NormRD=  0.3893650856954
 SCF=  14  Eeigen=-6454.1266068013638 (Hartree)  NormRD=  0.1122511551972
 SCF=  15  Eeigen=-6479.9455174375398 (Hartree)  NormRD=  0.2127291490890
 SCF=  16  Eeigen=-6467.9439036301856 (Hartree)  NormRD=  0.0141156750434
 SCF=  17  Eeigen=-6464.3847117186760 (Hartree)  NormRD=  0.0011544503562
 SCF=  18  Eeigen=-6463.8416356921462 (Hartree)  NormRD=  0.0005826774119
 SCF=  19  Eeigen=-6463.8266779175701 (Hartree)  NormRD=  0.0000972015434
 SCF=  20  Eeigen=-6463.8559585127869 (Hartree)  NormRD=  0.0000104777702
 SCF=  21  Eeigen=-6463.8106586337526 (Hartree)  NormRD=  0.0000014806367
 SCF=  22  Eeigen=-6463.8794818310525 (Hartree)  NormRD=  0.0000018548674
 SCF=  23  Eeigen=-6463.8359306589164 (Hartree)  NormRD=  0.0000000426424
 SCF=  24  Eeigen=-6463.8401773330397 (Hartree)  NormRD=  0.0000000150855
 SCF=  25  Eeigen=-6463.8395975673202 (Hartree)  NormRD=  0.0000000037045
 SCF=  26  Eeigen=-6463.8404361019948 (Hartree)  NormRD=  0.0000000006565
 SCF=  27  Eeigen=-6463.8394854356975 (Hartree)  NormRD=  0.0000000003968
 SCF=  28  Eeigen=-6463.8404533554813 (Hartree)  NormRD=  0.0000000001606
 SCF=  29  Eeigen=-6463.8402220359476 (Hartree)  NormRD=  0.0000000000277
 SCF=  30  Eeigen=-6463.8402088700677 (Hartree)  NormRD=  0.0000000000234
 SCF=  31  Eeigen=-6463.8402084676627 (Hartree)  NormRD=  0.0000000000233
 SCF=  32  Eeigen=-6463.8402080666419 (Hartree)  NormRD=  0.0000000000231
 SCF=  33  Eeigen=-6463.8402076670736 (Hartree)  NormRD=  0.0000000000230
 SCF=  34  Eeigen=-6463.8402072689114 (Hartree)  NormRD=  0.0000000000229
 SCF=  35  Eeigen=-6463.8402068721980 (Hartree)  NormRD=  0.0000000000228
 SCF=  36  Eeigen=-6463.8402064768989 (Hartree)  NormRD=  0.0000000000226
 SCF=  37  Eeigen=-6463.8402060829940 (Hartree)  NormRD=  0.0000000000225
 SCF=  38  Eeigen=-6463.8402056905170 (Hartree)  NormRD=  0.0000000000224
 SCF=  39  Eeigen=-6463.8402052994443 (Hartree)  NormRD=  0.0000000000223
 SCF=  40  Eeigen=-6463.8402049097540 (Hartree)  NormRD=  0.0000000000222
 SCF=  41  Eeigen=-6463.8402045214962 (Hartree)  NormRD=  0.0000000000220
 SCF=  42  Eeigen=-6463.8402041346135 (Hartree)  NormRD=  0.0000000000219
 SCF=  43  Eeigen=-6463.8402037491078 (Hartree)  NormRD=  0.0000000000218
 SCF=  44  Eeigen=-6463.8402033649736 (Hartree)  NormRD=  0.0000000000217
 SCF=  45  Eeigen=-6463.8402029822382 (Hartree)  NormRD=  0.0000000000216
 SCF=  46  Eeigen=-6463.8402026008453 (Hartree)  NormRD=  0.0000000000215
 SCF=  47  Eeigen=-6463.8402022208375 (Hartree)  NormRD=  0.0000000000214
 SCF=  48  Eeigen=-6463.8402018422003 (Hartree)  NormRD=  0.0000000000212
 SCF=  49  Eeigen=-6463.8402014649082 (Hartree)  NormRD=  0.0000000000211
 SCF=  50  Eeigen=-6463.8402010889486 (Hartree)  NormRD=  0.0000000000210
 SCF=  51  Eeigen=-6463.8402007143723 (Hartree)  NormRD=  0.0000000000209
 SCF=  52  Eeigen=-6463.8402003411047 (Hartree)  NormRD=  0.0000000000208
 SCF=  53  Eeigen=-6463.8401999691878 (Hartree)  NormRD=  0.0000000000207
 SCF=  54  Eeigen=-6463.8401995986114 (Hartree)  NormRD=  0.0000000000206
 SCF=  55  Eeigen=-6463.8401992293320 (Hartree)  NormRD=  0.0000000000205
 SCF=  56  Eeigen=-6463.8401988613987 (Hartree)  NormRD=  0.0000000000204
 SCF=  57  Eeigen=-6463.8401984947777 (Hartree)  NormRD=  0.0000000000203
 SCF=  58  Eeigen=-6463.8401981294774 (Hartree)  NormRD=  0.0000000000202
 SCF=  59  Eeigen=-6463.8401977654948 (Hartree)  NormRD=  0.0000000000200
 SCF=  60  Eeigen=-6463.8401974028084 (Hartree)  NormRD=  0.0000000000000

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

                         j=l+1/2                j=l-1/2
 n=  1  l=  0     -1710.2824943587152    -1710.2824943587152
 n=  2  l=  0      -279.1237853969035     -279.1237853969035
 n=  2  l=  1      -242.4679941529216     -264.5297926247875
 n=  3  l=  0       -61.0974418945694      -61.0974418945694
 n=  3  l=  1       -50.3745310441671      -54.8372923789733
 n=  3  l=  2       -38.5456442082384      -39.5139925051003
 n=  4  l=  0       -12.1130594634348      -12.1130594634348
 n=  4  l=  1        -8.7339851821588       -9.7190987094684
 n=  4  l=  2        -4.6215562478195       -4.7970496828577
 n=  4  l=  3        -0.0777509589948       -0.0973452711266
 n=  5  l=  0        -1.5835283032473       -1.5835283032473
 n=  5  l=  1        -0.8116932277735       -0.9421378749959
 n=  6  l=  0        -0.1367505364427       -0.1367505364427


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

 Eeigen =    -6463.8401974028084
 Ekin   =    11396.5778209240852
 EHart  =     4067.0143307796784
 Exc    =     -230.0891687474371
 Eec    =   -25689.1400835587956
 Etot   = Ekin + EHart + Exc + Eec
 Etot   =   -10455.6371006024692


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

j.dependent.pseudo.potentials   on

<VPS> L=0, dif of log deris for all electrons = 28303.9033392424 28303.9033392424
<VPS> L=0, dif of log deris for semi local    = 18952.4390213909 18952.4390213909
<VPS> L=1, dif of log deris for all electrons = 37758.6165410484 12818.1988708560
<VPS> L=1, dif of log deris for semi local    = 10916.2837586566 7264.9590120323
<VPS> L=2, dif of log deris for all electrons =    0.1050895677    0.0129805677
<VPS> L=2, dif of log deris for semi local    =    3.1336245528   17.9392741450
<VPS> L=3, dif of log deris for all electrons = 15507.8723688886   49.6136556179
<VPS> L=3, dif of log deris for semi local    = 27245.1016500667  686.9592947738

<project.energies
10
 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
 2    1.00000000000000e+00   1.00000000000000e+00
 3   -1.00000000000000e+00  -1.00000000000000e+00
 3   -1.00000000000000e+00  -1.00000000000000e+00
project.energies>

<Pseudo.Potentials
-1.00000000000000e+01 4.53999297624849e-05  -2.10435183716366e+01   -4.33096428604292e+00 -4.33096428604292e+00  3.70368774608764e+00 3.70368774608764e+00  2.97298509407507e-04 3.31245959154865e-04  6.85021353153672e-04 7.41314212115639e-04  1.07356267552210e-03 1.14755488392624e-03  1.22949634330132e-08 1.31210922352126e-08  2.36959174760840e-08 2.80239857048123e-08  3.67721469917442e-08 4.61111431965675e-08  1.06726317375849e-11 1.09165678918046e-11  -3.34127158770307e-11 -3.52214153352557e-11
-9.98678778778779e+00 4.60037433419227e-05  -2.10435183716366e+01   -4.33096428954654e+00 -4.33096428954654e+00  3.70368774659704e+00 3.70368774659704e+00  3.01252543661112e-04 3.35651490387044e-04  6.94132054382285e-04 7.51173601563886e-04  1.08784092939331e-03 1.16281722522465e-03  1.26241813047968e-08 1.34724310647405e-08  2.43304146475758e-08 2.87743740231151e-08  3.77567817197066e-08 4.73458449112055e-08  1.11041545232856e-11 1.13579536626422e-11  -3.47636805089753e-11 -3.66455104785094e-11
-9.97357557557558e+00 4.66155875689986e-05  -2.10435183716366e+01   -4.33096429314396e+00 -4.33096429314396e+00  3.70368774712008e+00 3.70368774712008e+00  3.05259166092699e-04 3.40115614652432e-04  7.03363926836816e-04 7.61164119700826e-04  1.10230908231648e-03 1.17828255381877e-03  1.29622145266648e-08 1.38331775693878e-08  2.49819015245922e-08 2.95448552230453e-08  3.87677816622557e-08 4.86136077953703e-08  1.15531249187604e-11 1.18171858298757e-11  -3.61692682196390e-11 -3.81271855607708e-11
-9.96036336336336e+00 4.72355692503556e-05  -2.10435183716366e+01   -4.33096429683779e+00 -4.33096429683779e+00  3.70368774765718e+00 3.70368774765718e+00  3.09319076118689e-04 3.44639111231298e-04  7.12718582079948e-04 7.71287510522189e-04  1.11696965992610e-03 1.19395356941514e-03  1.33092991441161e-08 1.42035836551307e-08  2.56508330344453e-08 3.03359673245598e-08  3.98058527913816e-08 4.99153171162591e-08  1.20202483771036e-11 1.22949859706000e-11  -3.76316875647341e-11 -3.96687686914433e-11
-9.94715115115115e+00 4.78637966131523e-05  -2.10435183716366e+01   -4.33096430063049e+00 -4.33096430063049e+00  3.70368774820863e+00 3.70368774820863e+00  3.13432982457658e-04 3.49222769768245e-04  7.22197653107955e-04 7.81545541218643e-04  1.13182522144728e-03 1.20983300762607e-03  1.36656775231564e-08 1.45839079731425e-08  2.63376762858745e-08 3.11482627539855e-08  4.08717199826348e-08 5.12518818455562e-08  1.25062588747486e-11 1.27921048371834e-11  -3.91532363977254e-11 -4.12726821115546e-11
-9.93393893893894e+00 4.85003793239554e-05  -2.10435183716366e+01   -4.33096430452483e+00 -4.33096430452483e+00  3.70368774877487e+00 3.70368774877487e+00  3.17601603254054e-04 3.53867390410056e-04  7.31802794635768e-04 7.91940002484279e-04  1.14687836014252e-03 1.22592364044718e-03  1.40315985195398e-08 1.49744161004070e-08  2.70429108952244e-08 3.19823087297726e-08  4.19661275213030e-08 5.26242352941576e-08  1.30119200647398e-11 1.33093235369020e-11  -4.07363054803742e-11 -4.29414459997474e-11
-9.92072672672673e+00 4.91454285078836e-05  -2.10435183716366e+01   -4.33096430852342e+00 -4.33096430852342e+00  3.70368774935629e+00 3.70368774935629e+00  3.21825666203559e-04 3.58573783945366e-04  7.41535683385823e-04 8.02472708829201e-04  1.16213170376441e-03 1.24222827674129e-03  1.44073176525424e-08 1.53753807251685e-08  2.77670293213554e-08 3.28386876585777e-08  4.30898396221342e-08 5.40333357638921e-08  1.35380264766388e-11 1.38474547592685e-11  -4.23833822392649e-11 -4.46776824321544e-11
-9.90751451451452e+00 4.97990567680065e-05  -2.10435183716366e+01   -4.33096431262912e+00 -4.33096431262912e+00  3.70368774995332e+00 3.70368774995332e+00  3.26105908680121e-04 3.63342771946206e-04  7.51398018380766e-04 8.13145498896281e-04  1.17758791501432e-03 1.25874976272878e-03  1.47930972833891e-08 1.57870818373478e-08  2.85105372095242e-08 3.37179975419546e-08  4.42436409629847e-08 5.54801672166983e-08  1.40854047649400e-11 1.44073440529845e-11  -4.40970546742212e-11 -4.64841195023850e-11
-9.89430230230230e+00 5.04613782050006e-05  -2.10435183716366e+01   -4.33096431684478e+00 -4.33096431684478e+00  3.70368775056631e+00 3.70368775056631e+00  3.30443077864673e-04 3.68175186911412e-04  7.61391521240039e-04 8.23960235782122e-04  1.19324969200723e-03 1.27549098248441e-03  1.51892067984585e-08 1.62098069240561e-08  2.92739537444711e-08 3.46208523939315e-08  4.54283372327512e-08 5.69657399617132e-08  1.46549150079700e-11 1.49898711545268e-11  -4.58800154247474e-11 -4.83635956080916e-11
-9.88109009009009e+00 5.11325084370677e-05  -2.10435183716366e+01   -4.33096432117334e+00 -4.33096432117334e+00  3.70368775119575e+00 3.70368775119575e+00  3.34837930875564e-04 3.73071872411957e-04  7.71517936480415e-04 8.34918807362281e-04  1.20911976874273e-03 1.29245485844078e-03  1.55959227973920e-08 1.66438511703447e-08  3.00578120129611e-08 3.55478826697721e-08  4.66447556939740e-08 5.84910913607618e-08  1.52474520593027e-11 1.55959513704483e-11  -4.77350660008859e-11 -5.03190639108522e-11
-9.86787787787788e+00 5.18125646201179e-05  -2.10435183716366e+01   -4.33096432561784e+00 -4.33096432561784e+00  3.70368775184205e+00 3.70368775184205e+00  3.39291234900725e-04 3.78033683238205e-04  7.81779031820533e-04 8.46023126620842e-04  1.22520091558229e-03 1.30964435189850e-03  1.60135292862419e-08 1.70895176653307e-08  3.08626593760350e-08 3.64997357062173e-08  4.78937457605116e-08 6.00572865527399e-08  1.58639469538082e-11 1.62265370155694e-11  -4.96651211851434e-11 -5.23535969763820e-11
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Pseudo.Potentials>


***********************************************************
**            Core electron densities for PCC            **
***********************************************************
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2.15523523523524e+00 8.62992000147811e+00  1.14015255432862e-10
2.16844744744745e+00 8.74469689460583e+00  1.00247832575069e-10
2.18165965965966e+00 8.86100030654182e+00  8.79503139250200e-11
2.19487187187187e+00 8.97885053980174e+00  7.69916767853482e-11
2.20808408408408e+00 9.09826816692229e+00  6.72492994555047e-11
2.22129629629630e+00 9.21927403405238e+00  5.86088205923322e-11
2.23450850850851e+00 9.34188926459221e+00  5.09639477856163e-11
2.24772072072072e+00 9.46613526288067e+00  4.42162222527473e-11
2.26093293293293e+00 9.59203371793171e+00  3.82747464018476e-11
2.27414514514514e+00 9.71960660722060e+00  3.30558808374345e-11
2.28735735735736e+00 9.84887620052036e+00  2.84829170281528e-11
2.30056956956957e+00 9.97986506378927e+00  2.44857315387649e-11
2.31378178178178e+00 1.01125960631102e+01  2.10004273717957e-11
2.32699399399399e+00 1.02470923686820e+01  1.79689674369922e-11
2.34020620620621e+00 1.03833774588646e+01  1.53388047348763e-11
2.35341841841842e+00 1.05214751242771e+01  1.30625133882581e-11
2.36663063063063e+00 1.06614094719511e+01  1.10974240956680e-11
2.37984284284284e+00 1.08032049295386e+01  9.40526718131860e-12
2.39305505505506e+00 1.09468862495766e+01  7.95182586387926e-12
2.40626726726727e+00 1.10924785138077e+01  6.70660197788516e-12
2.41947947947948e+00 1.12400071375589e+01  5.64249591051360e-12
2.43269169169169e+00 1.13894978741777e+01  4.73550213420345e-12
2.44590390390390e+00 1.15409768195282e+01  3.96442134469880e-12
2.45911611611612e+00 1.16944704165462e+01  3.31058987008319e-12
2.47232832832833e+00 1.18500054598554e+01  2.75762672077393e-12
2.48554054054054e+00 1.20076091004449e+01  2.29119838282148e-12
2.49875275275275e+00 1.21673088504084e+01  1.89880122268605e-12
2.51196496496497e+00 1.23291325877474e+01  1.56956117559250e-12
2.52517717717718e+00 1.24931085612372e+01  1.29405022472961e-12
2.53838938938939e+00 1.26592653953585e+01  1.06411904141825e-12
2.55160160160160e+00 1.28276320952943e+01  8.72745052563031e-13
2.56481381381381e+00 1.29982380519927e+01  7.13895122629667e-13
2.57802602602603e+00 1.31711130472982e+01  5.82401978221154e-13
2.59123823823824e+00 1.33462872591500e+01  4.73853471623587e-13
2.60445045045045e+00 1.35237912668503e+01  3.84493760833747e-13
2.61766266266266e+00 1.37036560564024e+01  3.11135485505203e-13
2.63087487487488e+00 1.38859130259195e+01  2.51082028530119e-13
2.64408708708709e+00 1.40705939911062e+01  2.02058979231727e-13
2.65729929929930e+00 1.42577311908119e+01  1.62153945830879e-13
2.67051151151151e+00 1.44473572926588e+01  1.29763905482346e-13
2.68372372372372e+00 1.46395053987448e+01  1.03549324799289e-13
2.69693593593594e+00 1.48342090514214e+01  8.23943324703314e-14
2.71014814814815e+00 1.50315022391494e+01  6.53722763455872e-14
2.72336036036036e+00 1.52314194024321e+01  5.17160485769237e-14
2.73657257257257e+00 1.54339954398272e+01  4.07926142071353e-14
2.74978478478478e+00 1.56392657140392e+01  3.20812286803268e-14
2.76299699699700e+00 1.58472660580921e+01  2.51548787906591e-14
2.77620920920921e+00 1.60580327815848e+01  1.96645281023906e-14
2.78942142142142e+00 1.62716026770297e+01  1.53257920365579e-14
2.80263363363363e+00 1.64880130262750e+01  1.19077090430205e-14
2.81584584584585e+00 1.67073016070128e+01  9.22331262871474e-15
2.82905805805806e+00 1.69295066993743e+01  7.12174419963403e-15
2.84227027027027e+00 1.71546670926116e+01  5.48167891028093e-15
2.85548248248248e+00 1.73828220918692e+01  4.20586584079802e-15
2.86869469469469e+00 1.76140115250452e+01  3.21661011353945e-15
2.88190690690691e+00 1.78482757497442e+01  2.45204804756960e-15
2.89511911911912e+00 1.80856556603218e+01  1.86308734084654e-15
2.90833133133133e+00 1.83261926950236e+01  1.41090272383803e-15
2.92154354354354e+00 1.85699288432191e+01  1.06489375285459e-15
2.93475575575576e+00 1.88169066527309e+01  8.01025574571781e-16
2.94796796796797e+00 1.90671692372629e+01  6.00485813453516e-16
2.96118018018018e+00 1.93207602839260e+01  4.48601373938029e-16
2.97439239239239e+00 1.95777240608643e+01  3.33968106415743e-16
2.98760460460460e+00 1.98381054249827e+01  2.47754116288993e-16
3.00081681681682e+00 2.01019498297778e+01  1.83144165810728e-16
3.01402902902903e+00 2.03693033332722e+01  1.34898266536323e-16
3.02724124124124e+00 2.06402126060544e+01  9.90023249522669e-17
3.04045345345345e+00 2.09147249394263e+01  7.23927005139822e-17
3.05366566566567e+00 2.11928882536583e+01  5.27398738769015e-17
3.06687787787788e+00 2.14747511063547e+01  3.82791984738381e-17
3.08009009009009e+00 2.17603627009299e+01  2.76790046597369e-17
3.09330230230230e+00 2.20497728951978e+01  1.99382170541288e-17
3.10651451451452e+00 2.23430322100756e+01  1.43071959502869e-17
3.11972672672673e+00 2.26401918384019e+01  1.02267793805220e-17
3.13293893893894e+00 2.29413036538743e+01  7.28153010873937e-18
3.14615115115115e+00 2.32464202201044e+01  5.16402292957195e-18
3.15936336336336e+00 2.35555947997932e+01  3.64767699971920e-18
3.17257557557557e+00 2.38688813640294e+01  2.56617400856695e-18
3.18578778778779e+00 2.41863346017104e+01  1.79793070370746e-18
3.19900000000000e+00 2.45080099290896e+01  1.25443841036823e-18
density.PCC>