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

#
# File Name
#

System.CurrrentDir    ./             # default=./
System.Name            Cu_PBE13S
Log.print              OFF           # ON|OFF

System.UseRestartfile  yes            # NO|YES, default=NO
System.Restartfile     Cu_PBE13       # default=null

#
# calculation type
#

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

#
# Atom
#

AtomSpecies             29
max.occupied.N           4
total.electron        29.0
valence.electron      11.0 
<occupied.electrons 
 1   2.0
 2   2.0  6.0
 3   2.0  6.0  9.0
 4   2.0  0.0  0.0  0.0
occupied.electrons>

#
# parameters for solving 1D-differential equations
#

grid.xmin             -8.0           # default=-7.0 rmin(a.u.)=exp(grid.xmin)
grid.xmax              3.2           # default= 2.5 rmax(a.u.)=exp(grid.xmax)
grid.num             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-13        # default=1.0e-9

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

vps.type               MBK           # BHS|TM        
number.vps              5
<pseudo.NandL
 0  3  2  1.40  0.0 
 1  4  0  2.00  0.0 
 2  4  1  2.00  0.8
 3  4  2  2.10  0.4
 4  4  3  1.20  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           1.50          # 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           2.5          # default= 2.0 (Hartree) 
log.deri.num             50          # 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              1.1          # default=1.0     
pcc.ratio.origin       3.0           # default=6.0     

#
# Pseudo atomic orbitals
#

maxL.pao                4            # 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      
*****************************************************


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

                         j=l+1/2                j=l-1/2
 n=  1  l=  0      -325.0711181238700     -325.0711181238700
 n=  2  l=  0       -39.1967147292652      -39.1967147292652
 n=  2  l=  1       -33.6127551326640      -34.3645902816655
 n=  3  l=  0        -4.4017875281568       -4.4017875281568
 n=  3  l=  1        -2.8047377451377       -2.9004956851346
 n=  3  l=  2        -0.3438425031495       -0.3545973706939
 n=  4  l=  0        -0.2135238483306       -0.2135238483306


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

 Eeigen =     -961.9570044253452
 Ekin   =     1684.7896622530347
 EHart  =      713.3905231479378
 Exc    =      -67.4230028742286
 Eec    =    -3986.1644424059696
 Etot   = Ekin + EHart + Exc + Eec
 Etot   =    -1655.4072598792256


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

j.dependent.pseudo.potentials   on

<VPS> L=0, dif of log deris for all electrons = 2199.3538454835 2199.3538454835
<VPS> L=0, dif of log deris for semi local    =  374.6530520348  374.6530520348
<VPS> L=1, dif of log deris for all electrons =  346.3364992325    0.7217962914
<VPS> L=1, dif of log deris for semi local    =  228.1258197398    0.4265704672
<VPS> L=2, dif of log deris for all electrons =    6.0975585320  159.5885870557
<VPS> L=2, dif of log deris for semi local    = 1232.7218468314 3147.5707877968
<VPS> L=3, dif of log deris for all electrons =   41.0675356425   23.9479193857
<VPS> L=3, dif of log deris for semi local    =   46.3084973048   28.5428033224

<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
-8.00000000000000e+00 3.35462627902512e-04  -1.76025447225159e+01   2.68576372197884e+00 2.68576372197884e+00  5.39342768965873e+00 5.39342768965873e+00  6.59972122931841e+00 6.59972122931841e+00  1.48030554050516e-03 1.51104113196462e-03  3.54010248342916e-03 3.57646181642889e-03  5.00266091474965e-03 5.05716709811440e-03  -1.96779103723740e-05 -1.98704464935142e-05  -3.14172795589183e-05 -3.29650585937386e-05  -3.60632756166596e-09 -3.60165641791609e-09  1.20597585868566e-08 1.20283672595489e-08  -4.65424820914550e-08 -4.39069608662578e-08
-7.97755711422846e+00 3.43076496352363e-04  -1.76025447225159e+01   2.68576373298647e+00 2.68576373298647e+00  5.39342771187572e+00 5.39342771187572e+00  6.59972125680938e+00 6.59972125680938e+00  1.51390347587848e-03 1.54533666152447e-03  3.62045085159891e-03 3.65763541883646e-03  5.11620441912423e-03 5.17194770901476e-03  -2.05812908469121e-05 -2.07826659737084e-05  -3.28595913287749e-05 -3.44784261121938e-05  -3.85749730485618e-09 -3.85250083014736e-09  1.28996840829713e-08 1.28661064451932e-08  -4.97840243711469e-08 -4.69649471106771e-08
-7.95511422845691e+00 3.50863173896134e-04  -1.76025447225159e+01   2.68576374450010e+00 2.68576374450010e+00  5.39342773511625e+00 5.39342773511625e+00  6.59972128557311e+00 6.59972128557311e+00  1.54826397089891e-03 1.58041058376897e-03  3.70262285633565e-03 3.74065138785463e-03  5.23232497755606e-03 5.28933345213155e-03  -2.15261440068740e-05 -2.17367639222717e-05  -3.43681168588716e-05 -3.60612694189031e-05  -4.12616025470680e-09 -4.12081579072895e-09  1.37981078284703e-08 1.37621916103617e-08  -5.32513301850555e-08 -5.02359127712278e-08
-7.93267134268537e+00 3.58826582716501e-04  -1.76025447225159e+01   2.68576375654294e+00 2.68576375654294e+00  5.39342775942727e+00 5.39342775942727e+00  6.59972131566781e+00 6.59972131566781e+00  1.58340433309512e-03 1.61628056558370e-03  3.78665988803118e-03 3.82555153898489e-03  5.35108108047114e-03 5.40938345517155e-03  -2.25143737914639e-05 -2.27346629071058e-05  -3.59458958746294e-05 -3.77167779912371e-05  -4.41353475950469e-09 -4.40781806986567e-09  1.47591040473215e-08 1.47206863738926e-08  -5.69601232721004e-08 -5.37346912121460e-08
-7.91022845691383e+00 3.66970734016439e-04  -1.76025447225159e+01   2.68576376913926e+00 2.68576376913926e+00  5.39342778485777e+00 5.39342778485777e+00  6.59972134715418e+00 6.59972134715418e+00  1.61934226281825e-03 1.65296467483288e-03  3.87260427649946e-03 3.91237863679951e-03  5.47253254583077e-03 5.53215818784105e-03  -2.35479715462170e-05 -2.37783737576444e-05  -3.75961076464830e-05 -3.94482877262177e-05  -4.72092402174000e-09 -4.71480918205708e-09  1.57870307206351e-08 1.57459373731515e-08  -6.09272224811522e-08 -5.74771488957661e-08
-7.88778557114228e+00 3.75299730039682e-04  -1.76025447225159e+01   2.68576378231446e+00 2.68576378231446e+00  5.39342781145907e+00 5.39342781145907e+00  6.59972138009591e+00 6.59972138009591e+00  1.65609586215767e-03 1.69048138946033e-03  3.96049931229841e-03 4.00117641648236e-03  5.59674054926229e-03 5.65771949230487e-03  -2.46290200356424e-05 -2.48699996167542e-05  -3.93220773958022e-05 -4.12592876620209e-05  -5.04972200793698e-09 -5.04318128827347e-09  1.68865493494643e-08 1.68425939753902e-08  -6.51706180420267e-08 -6.14802573345832e-08
-7.86534268537074e+00 3.83817766137036e-04  -1.76025447225159e+01   2.68576379609510e+00 2.68576379609510e+00  5.39342783928485e+00 5.39342783928485e+00  6.59972141455957e+00 6.59972141455957e+00  1.69368364405908e-03 1.72884960679686e-03  4.05038926853555e-03 4.09198960585849e-03  5.72376765487350e-03 5.78613061433655e-03  -2.57596976400754e-05 -2.60117401786502e-05  -4.11272829948678e-05 -4.31534270080195e-05  -5.40141977008568e-09 -5.39442350919968e-09  1.80626460940220e-08 1.80156293619382e-08  -6.97095531485112e-08 -6.57621700545467e-08
-7.84289979959920e+00 3.92529132879600e-04  -1.76025447225159e+01   2.68576381050896e+00 2.68576381050896e+00  5.39342786839125e+00 5.39342786839125e+00  6.59972145061483e+00 6.59972145061483e+00  1.73212454164958e-03 1.76808865307893e-03  4.14231942316855e-03 4.18486394792373e-03  5.85367784676646e-03 5.91745623517556e-03  -2.69422827451963e-05 -2.72058961213610e-05  -4.30153619743934e-05 -4.51345224975239e-05  -5.77761220734136e-09 -5.77012867817625e-09  1.93206543851765e-08 1.92703630808414e-08  -7.45646112233896e-08 -7.03423049186045e-08
-7.82045691382766e+00 4.01438218219943e-04  -1.76025447225159e+01   2.68576382558509e+00 2.68576382558509e+00  5.39342789883699e+00 5.39342789883699e+00  6.59972148833456e+00 6.59972148833456e+00  1.77143791777433e-03 1.80821829318337e-03  4.23633608181198e-03 4.27984622388567e-03  5.98653656126663e-03 6.05176250410751e-03  -2.81791583330610e-05 -2.84548737426769e-05  -4.49901188527115e-05 -4.72065660780312e-05  -6.18000529865458e-09 -6.17200056446144e-09  2.06662791107665e-08 2.06124851702202e-08  -7.97578092611983e-08 -7.52414321838177e-08
-7.79801402805611e+00 4.10549509702336e-04  -1.76025447225159e+01   2.68576384135390e+00 2.68576384135390e+00  5.39342793068349e+00 5.39342793068349e+00  6.59972152779496e+00 6.59972152779496e+00  1.81164357474975e-03 1.84925874058309e-03  4.33248660106160e-03 4.37698427672759e-03  6.12241071988337e-03 6.18911707178386e-03  -2.94728167838923e-05 -2.97611898089225e-05  -4.70555328013845e-05 -4.93737329544744e-05  -6.61042383913093e-09 -6.60186159957027e-09  2.21056224864150e-08 2.20480819617424e-08  -8.53126976720056e-08 -8.04817686913726e-08
-7.77557114228457e+00 4.19867596723144e-04  -1.76025447225159e+01   2.68576385784716e+00 2.68576385784716e+00  5.39342796399499e+00 5.39342796399499e+00  6.59972156907572e+00 6.59972156907572e+00  1.85276176433798e-03 1.89123066752861e-03  4.43081941234813e-03 4.47632703530715e-03  6.26136876301869e-03 6.32958912429795e-03  -3.08258648983082e-05 -3.11274766263224e-05  -4.92157656626857e-05 -5.16403900016740e-05  -7.07081971520344e-09 -7.06166114172841e-09  2.36452117281624e-08 2.35836636812249e-08  -9.12544670789920e-08 -8.60870786166255e-08
-7.75312825651303e+00 4.29397172842527e-04  -1.76025447225159e+01   2.68576387509813e+00 2.68576387509813e+00  5.39342799883868e+00 5.39342799883868e+00  6.59972161226026e+00 6.59972161226026e+00  1.89481319794788e-03 1.93415521546086e-03  4.53138404633243e-03 4.57792453900219e-03  6.40348068444111e-03 6.47324941803440e-03  -3.22410291501085e-05 -3.25564873451778e-05  -5.14751703350940e-05 -5.40111045629315e-05  -7.56328075614406e-09 -7.55348431591861e-09  2.52920286524102e-08 2.52261939715292e-08  -9.76100625541359e-08 -9.20827812360619e-08
-7.73068537074148e+00 4.39143038148605e-04  -1.76025447225159e+01   2.68576389314158e+00 2.68576389314158e+00  5.39342803528484e+00 5.39342803528484e+00  6.59972165743579e+00 6.59972165743579e+00  1.93781905706734e-03 1.97805400566017e-03  4.63423115785425e-03 4.68182796291569e-03  6.54881806654166e-03 6.62017031530936e-03  -3.37211611801993e-05 -3.40511015075453e-05  -5.38382995436945e-05 -5.64906536524935e-05  -8.09004020205458e-09 -8.07956146960809e-09  2.70535413374049e-08 2.69831214716309e-08  -1.04408305810050e-07 -9.84960661998813e-08
-7.70824248496994e+00 4.49110101675286e-04  -1.76025447225159e+01   2.68576391201387e+00 2.68576391201387e+00  5.39342807340698e+00 5.39342807340698e+00  6.59972170469349e+00 6.59972170469349e+00  1.98180100393259e-03 2.02294915013705e-03  4.73941255144734e-03 4.78808964365302e-03  6.69745411639039e-03 6.77042582081986e-03  -3.52692435427288e-05 -3.56143308495903e-05  -5.63099150131518e-05 -5.90840335804187e-05  -8.65348683127238e-09 -8.64227828703658e-09  2.89377379898424e-08 2.88624135950699e-08  -1.11680025902082e-07 -1.05356016832941e-07
-7.68579959919840e+00 4.59303383874961e-04  -1.76025447225159e+01   2.68576393175306e+00 2.68576393175306e+00  5.39342811328196e+00 5.39342811328196e+00  6.59972175412879e+00 6.59972175412879e+00  2.02678119243953e-03 2.06886326277006e-03  4.84698120743368e-03 4.89676310568406e-03  6.84946370261119e-03 6.92409161892034e-03  -3.68883957150104e-05 -3.72493253703107e-05  -5.88949970617304e-05 -6.17964700192286e-05  -9.25617579311727e-09 -9.24418660793198e-09  3.09531631701710e-08 3.08725926609602e-08  -1.19458199033396e-07 -1.12693742023216e-07
-7.66335671342685e+00 4.69728019147334e-04  -1.76025447225159e+01   2.68576395239892e+00 2.68576395239892e+00  5.39342815499022e+00 5.39342815499022e+00  6.59972180584151e+00 6.59972180584151e+00  2.07278227930274e-03 2.11581947069661e-03  4.95699130860985e-03 5.00790308830385e-03  7.00492339309339e-03 7.08124511174526e-03  -3.85818803833440e-05 -3.89593796788565e-05  -6.15987546356824e-05 -6.46334285326255e-05  -9.90084019510400e-09 -9.88801599971428e-09  3.31089565408702e-08 3.30227745414069e-08  -1.27778098097018e-07 -1.20542517295854e-07
-7.64091382765531e+00 4.80389258425637e-04  -1.76025447225159e+01   2.68576397399307e+00 2.68576397399307e+00  5.39342819861585e+00 5.39342819861585e+00  6.59972185993600e+00 6.59972185993600e+00  2.11982743546779e-03 2.16384142596213e-03  5.06949826753923e-03 5.12156557320494e-03  7.16391149355946e-03 7.24196545819699e-03  -4.03531100173989e-05 -4.07479396332349e-05  -6.44266358042138e-05 -6.76006255874775e-05  -1.05904034971664e-08 -1.05766861356659e-08  3.54148943134197e-08 3.53227100005897e-08  -1.36677452633004e-07 -1.28937935712588e-07
-7.61847094188377e+00 4.91292471821548e-04  -1.76025447225158e+01   2.68576399657903e+00 2.68576399657903e+00  5.39342824424681e+00 5.39342824424681e+00  6.59972191652147e+00 6.59972191652147e+00  2.16794035778256e-03 2.21295331743379e-03  5.18455875446348e-03 5.23780781267569e-03  7.32650808700790e-03 7.40633361381838e-03  -4.22056537464063e-05 -4.26186092837766e-05  -6.73843387361715e-05 -7.07040400712463e-05  -1.13279927690984e-08 -1.13133200352010e-08  3.78814335819156e-08 3.77828289129795e-08  -1.46196619926101e-07 -1.37918069280793e-07
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3.17655711422846e+00 2.39641056816355e+01  -4.59019841810950e-01   -1.80837835100400e-17 -1.80837835100400e-17  2.76611031540637e-17 2.76611031540637e-17  -3.78836943056062e-17 -3.78836943056062e-17  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  -4.48832852205789e-01   -1.21181569011372e-17 -1.21181569011372e-17  1.85360319035593e-17 1.85360319035593e-17  -2.53863109638510e-17 -2.53863109638510e-17  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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-7.97755711422846e+00 3.43076496352363e-04  2.29895192556019e+00
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1.35868336673347e+00 3.89106681967025e+00  6.86880236277710e-08
1.38112625250501e+00 3.97938089232803e+00  4.66166168237094e-08
1.40356913827655e+00 4.06969939610736e+00  3.20341742207635e-08
1.42601202404810e+00 4.16206782482367e+00  2.23831247591627e-08
1.44845490981964e+00 4.25653270484832e+00  1.59620661896309e-08
1.47089779559118e+00 4.35314161854413e+00  1.16487070312889e-08
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1.67288376753507e+00 5.32750896376302e+00  1.52176706966598e-09
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1.74021242484970e+00 5.69855380854570e+00  8.52831212150049e-10
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1.80754108216433e+00 6.09544080165254e+00  4.66524225250488e-10
1.82998396793587e+00 6.23378671725517e+00  3.78595101509975e-10
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1.91975551102204e+00 6.81929102397022e+00  1.56778618188987e-10
1.94219839679359e+00 6.97406589443015e+00  1.24196498160622e-10
1.96464128256513e+00 7.13235363161504e+00  9.78601548018178e-11
1.98708416833667e+00 7.29423396573296e+00  7.66857185126008e-11
2.00952705410822e+00 7.45978843659839e+00  5.97554128987026e-11
2.03196993987976e+00 7.62910043470414e+00  4.62956052256137e-11
2.05441282565130e+00 7.80225524322553e+00  3.56574708326115e-11
2.07685571142285e+00 7.97934008097784e+00  2.72998638569174e-11
2.09929859719439e+00 8.16044414634886e+00  2.07741127418579e-11
2.12174148296593e+00 8.34565866222845e+00  1.57105342197725e-11
2.14418436873747e+00 8.53507692195792e+00  1.18065065240361e-11
2.16662725450902e+00 8.72879433632228e+00  8.81597015095736e-12
2.18907014028056e+00 8.92690848160906e+00  6.54023972938453e-12
2.21151302605210e+00 9.12951914875790e+00  4.82001871892951e-12
2.23395591182365e+00 9.33672839362568e+00  3.52851235082046e-12
2.25639879759519e+00 9.54864058839247e+00  2.56553659466697e-12
2.27884168336673e+00 9.76536247413426e+00  1.85252216519778e-12
2.30128456913828e+00 9.98700321458890e+00  1.32831525079275e-12
2.32372745490982e+00 1.02136744511423e+01  9.45679794857481e-13
2.34617034068136e+00 1.04454903590628e+01  6.68410830408579e-13
2.36861322645291e+00 1.06825677050114e+01  4.68974105987911e-13
2.39105611222445e+00 1.09250259058582e+01  3.26593932275891e-13
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2.48082765531062e+00 1.19511517598512e+01  7.11004252794980e-14
2.50327054108216e+00 1.22224025334252e+01  4.76045625458276e-14
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2.59304208416834e+00 1.33703836316422e+01  8.79113363531418e-15
2.61548496993988e+00 1.36738461744950e+01  5.63781855827110e-15
2.63792785571142e+00 1.39841962919643e+01  3.58272116671744e-15
2.66037074148297e+00 1.43015903087275e+01  2.25564363162285e-15
2.68281362725451e+00 1.46261880975040e+01  1.40669754649500e-15
2.70525651302605e+00 1.49581531595840e+01  8.68796859688449e-16
2.72769939879759e+00 1.52976527071845e+01  5.31293871876841e-16
2.75014228456914e+00 1.56448577476753e+01  3.21632153979893e-16
2.77258517034068e+00 1.59999431697153e+01  1.92707433343906e-16
2.79502805611222e+00 1.63630878313457e+01  1.14249762010294e-16
2.81747094188377e+00 1.67344746500808e+01  6.70086128457671e-17
2.83991382765531e+00 1.71142906950446e+01  3.88706905271558e-17
2.86235671342685e+00 1.75027272811982e+01  2.22959069422633e-17
2.88479959919840e+00 1.78999800657063e+01  1.26424532092505e-17
2.90724248496994e+00 1.83062491464900e+01  7.08483990419828e-18
2.92968537074148e+00 1.87217391630175e+01  3.92290150659932e-18
2.95212825651303e+00 1.91466593993816e+01  2.14558965922031e-18
2.97457114228457e+00 1.95812238897169e+01  1.15885214807405e-18
2.99701402805611e+00 2.00256515260100e+01  6.17914826502403e-19
3.01945691382766e+00 2.04801661683561e+01  3.25178928985998e-19
3.04189979959920e+00 2.09449967577184e+01  1.68841838558708e-19
3.06434268537074e+00 2.14203774312466e+01  8.64706803859766e-20
3.08678557114228e+00 2.19065476402127e+01  4.36670682200853e-20
3.10922845691383e+00 2.24037522706237e+01  2.17371981209803e-20
3.13167134268537e+00 2.29122417665718e+01  1.06629191594067e-20
3.15411422845691e+00 2.34322722563841e+01  5.15260487853009e-21
3.17655711422846e+00 2.39641056816355e+01  2.45193425280149e-21
3.19900000000000e+00 2.45080099290896e+01  1.14861398706267e-21
density.PCC>