/usr/share/openmx/DFT_DATA13/VPS/Bi

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

#
# File Name
#
   
System.CurrentDir    ./             # default=./
System.Name            Bi_CA13
Log.print             OFF           # ON|OFF

System.UseRestartfile  yes          # NO|YES, default=NO
System.Restartfile     Bi_CA13     # default=null

#
# Calculation type
#

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

#
# Atom
#

AtomSpecies             83
max.occupied.N           6
total.electron        83.0
valence.electron      15.0 
<occupied.electrons 
 1   2.0
 2   2.0  6.0
 3   2.0  6.0  10.0
 4   2.0  6.0  10.0 14.0
 5   2.0  6.0  10.0  0.0  0.0
 6   2.0  3.0   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             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  0.350         # 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  5  2  1.10  0.0
 1  5  3  1.90  0.2
 2  6  0  2.00  0.0 
 3  6  1  2.20  0.0
 4  7  0  2.30 -0.15
 5  7  1  2.80  0.2
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           1.50          # default=smallest_cutoff_vps
local.origin.ratio     1.80          # 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             80          # default=50
<log.deri.R
 0  3.2 3.2
 1  3.2 3.2 
 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              0.4           # default=1.0     
pcc.ratio.origin       7.0           # 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    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      4000            # 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     -3317.4316884116815    -3317.4316884116815
 n=  2  l=  0      -594.7693906302484     -594.7693906302484
 n=  2  l=  1      -486.4948803998399     -571.2775388117278
 n=  3  l=  0      -143.3976561732600     -143.3976561732600
 n=  3  l=  1      -113.8680986882033     -132.8368114511302
 n=  3  l=  2       -92.5572330776528      -96.5711975149750
 n=  4  l=  0       -32.8215573339810      -32.8215573339810
 n=  4  l=  1       -23.5655799737230      -28.2450415117344
 n=  4  l=  2       -15.2563507438430      -16.1269826084949
 n=  4  l=  3        -5.4061868070501       -5.6055659068451
 n=  5  l=  0        -5.7263994390509       -5.7263994390509
 n=  5  l=  1        -3.2328306391164       -4.1389693268742
 n=  5  l=  2        -0.9216775639043       -1.0304977314047
 n=  6  l=  0        -0.5272453356973       -0.5272453356973
 n=  6  l=  1        -0.1498852918306       -0.2203902069703


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

 Eeigen =   -13470.2845055017278
 Ekin   =    25605.5230694664860
 EHart  =     8338.1397698001838
 Exc    =     -390.0904673903370
 Eec    =   -55234.1114146903346
 Etot   = Ekin + EHart + Exc + Eec
 Etot   =   -21680.5390428140017


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

j.dependent.pseudo.potentials   on

<VPS> L=0, dif of log deris for all electrons = 41951.0948635287 41951.0948635287
<VPS> L=0, dif of log deris for semi local    = 42588.6179517664 42588.6179517664
<VPS> L=1, dif of log deris for all electrons =    0.2503493449    0.0497887893
<VPS> L=1, dif of log deris for semi local    =   26.8674336305    0.6784290042
<VPS> L=2, dif of log deris for all electrons =    1.9282410468 9145.7581842512
<VPS> L=2, dif of log deris for semi local    = 1006107.4158820998 11077.1940772138
<VPS> L=3, dif of log deris for all electrons =    5.0838621737 49335.5143994213
<VPS> L=3, dif of log deris for semi local    =    1.1442912111 4183.0392965800

<project.energies
12
 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
 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
-1.00000000000000e+01 4.53999297624849e-05  -1.79945641161923e+01   1.80213498745318e+00 1.80213498745318e+00  1.89845819494433e+00 1.89845819494433e+00  7.75004915850804e-04 1.05679427475874e-03  6.11651590317949e-05 6.20482459649009e-05  -1.91178117144768e-08 -1.89548940076621e-08  1.47039134531070e-08 2.63037463981963e-09  -1.01740926036715e-08 1.65392719321155e-08  4.55868326941238e-09 -2.21256749007808e-08  -1.14824994201321e-12 -1.18802109761228e-12  3.64882567402208e-12 3.61535777275646e-12  -7.51096061735132e-13 -1.79785451113325e-12  7.79514914334027e-12 8.29276269763590e-12
-9.98678778778779e+00 4.60037433419227e-05  -1.79945641161923e+01   1.80213497291293e+00 1.80213497291293e+00  1.89845819577924e+00 1.89845819577924e+00  7.85312386317082e-04 1.07084950921836e-03  6.19786483527966e-05 6.28734802534732e-05  -1.96297225723398e-08 -1.94624424759308e-08  1.50976349240567e-08 2.70080724781793e-09  -1.04465206697103e-08 1.69821381455696e-08  4.68074951304030e-09 -2.27181262434648e-08  -1.19467673041838e-12 -1.23605593924416e-12  3.79635736664068e-12 3.76153626942229e-12  -7.81464866168022e-13 -1.87054653393615e-12  8.11032768297477e-12 8.62806107210651e-12
-9.97357557557558e+00 4.66155875689986e-05  -1.79945641161923e+01   1.80213495798334e+00 1.80213495798334e+00  1.89845819663651e+00 1.89845819663651e+00  7.95756944844070e-04 1.08509167652964e-03  6.28029569873992e-05 6.37096900630269e-05  -2.01553406854883e-08 -1.99835813893283e-08  1.55018989350412e-08 2.77312580475270e-09  -1.07262434453447e-08 1.74368628303819e-08  4.80608428112940e-09 -2.33264414454003e-08  -1.24298067692225e-12 -1.28603295682841e-12  3.94985415659048e-12 3.91362515012040e-12  -8.13061561849537e-13 -1.94617768787414e-12  8.43824972627413e-12 8.97691644848688e-12
-9.96036336336336e+00 4.72355692503556e-05  -1.79945641161923e+01   1.80213494265398e+00 1.80213494265398e+00  1.89845819751675e+00 1.89845819751675e+00  8.06340414684350e-04 1.09952326287415e-03  6.36382288313279e-05 6.45570213668567e-05  -2.06950330882283e-08 -2.05186746543765e-08  1.59169877799102e-08 2.84738081000865e-09  -1.10134562584221e-08 1.79037635166276e-08  4.93477509379736e-09 -2.39510452875124e-08  -1.29323768000157e-12 -1.33803067768589e-12  4.10955722856512e-12 4.07186338734075e-12  -8.45935795676958e-13 -2.02486680980820e-12  8.77943052686389e-12 9.33987697229251e-12
-9.94715115115115e+00 4.78637966131523e-05  -1.79945641161923e+01   1.80213492691413e+00 1.80213492691413e+00  1.89845819842054e+00 1.89845819842054e+00  8.17064643339465e-04 1.11414678749927e-03  6.44846096941070e-05 6.54156220796878e-05  -2.12491766428129e-08 -2.10680959217927e-08  1.63431913113955e-08 2.92362411517463e-09  -1.13083596670145e-08 1.83831662367725e-08  5.06691181465858e-09 -2.45923739249320e-08  -1.34552670690962e-12 -1.39213080420514e-12  4.27571751899466e-12 4.23649961586439e-12  -8.80139221903263e-13 -2.10673754148856e-12  9.13440617143961e-12 9.71751295201492e-12
-9.93393893893894e+00 4.85003793239554e-05  -1.79945641161923e+01   1.80213491075280e+00 1.80213491075280e+00  1.89845819934855e+00 1.89845819934855e+00  8.27931502882412e-04 1.12896480315800e-03  6.53422473245180e-05 6.62856420834998e-05  -2.18181583026016e-08 -2.16322288474068e-08  1.67808071435123e-08 3.00190896025075e-09  -1.16111595994656e-08 1.88754057533373e-08  5.20258671357132e-09 -2.52508751915636e-08  -1.39992991775501e-12 -1.44841834221880e-12  4.44859611033390e-12 4.40779252343544e-12  -9.15725583299662e-13 -2.19191852382900e-12  9.50373442210196e-12 1.01104177552290e-11
-9.92072672672673e+00 4.91454285078836e-05  -1.79945641161923e+01   1.80213489415871e+00 1.80213489415871e+00  1.89845820030140e+00 1.89845820030140e+00  8.38942890284448e-04 1.14397989655439e-03  6.62112914363868e-05 6.71672332537023e-05  -2.24023753822665e-08 -2.22114673600644e-08  1.72301408593805e-08 3.08229001082632e-09  -1.19220674981894e-08 1.93808257926597e-08  5.34189453107198e-09 -2.59270089127985e-08  -1.45653279459726e-12 -1.50698173457058e-12  4.62846464129319e-12 4.58601125722907e-12  -9.52750795600075e-13 -2.28054359903645e-12  9.88799559275172e-12 1.05192087409336e-11
-9.90751451451452e+00 4.97990567680065e-05  -1.79945641161923e+01   1.80213487712029e+00 1.80213487712029e+00  1.89845820127977e+00 1.89845820127977e+00  8.50100727746222e-04 1.15919468879542e-03  6.70918937347280e-05 6.80605494856219e-05  -2.30022358352336e-08 -2.28062159367038e-08  1.76915062246109e-08 3.16482339625120e-09  -1.22413004673191e-08 1.98997792849156e-08  5.48493254453171e-09 -2.66212472266097e-08  -1.51542427576208e-12 -1.56791300008273e-12  4.81560573365587e-12 4.77143584675397e-12  -9.91273035359763e-13 -2.37275202091286e-12  1.02877934609187e-11 1.09445282295875e-11
-9.89430230230230e+00 5.04613782050006e-05  -1.79945641161923e+01   1.80213485962561e+00 1.80213485962561e+00  1.89845820228434e+00 1.89845820228434e+00  8.61406963033324e-04 1.17461183584813e-03  6.79842079422173e-05 6.89657467214011e-05  -2.36181585385527e-08 -2.34168898847985e-08  1.81652254064042e-08 3.24956674883072e-09  -1.25690814243073e-08 2.04326286105667e-08  5.63180063608195e-09 -2.73340749132422e-08  -1.57669689558740e-12 -1.63130787814237e-12  5.01031343635288e-12 4.96435764385396e-12  -1.03135283136624e-12 -2.46868867366045e-12  1.07037562164582e-11 1.13870445123678e-11
-9.88109009009009e+00 5.11325084370677e-05  -1.79945641161923e+01   1.80213484166248e+00 1.80213484166248e+00  1.89845820331582e+00 1.89845820331582e+00  8.72863569816287e-04 1.19023402900362e-03  6.88883898260352e-05 6.98829829771891e-05  -2.42505735853949e-08 -2.40439156323621e-08  1.86516291985173e-08 3.33657924407040e-09  -1.29056392555870e-08 2.09797458534074e-08  5.78260136236132e-09 -2.80659897337270e-08  -1.64044692981962e-12 -1.69726597913370e-12  5.21289368749260e-12 5.16507978049996e-12  -1.07305315974626e-12 -2.56850429953369e-12  1.11365374486056e-11 1.18474529012351e-11
-9.86787787787788e+00 5.18125646201179e-05  -1.79945641161923e+01   1.80213482321833e+00 1.80213482321833e+00  1.89845820437492e+00 1.89845820437492e+00  8.84472548015121e-04 1.20606399534666e-03  6.98045972250493e-05 7.08124183707489e-05  -2.48999225853839e-08 -2.46877310257203e-08  1.91510572522548e-08 3.42592164199732e-09  -1.32512089764038e-08 2.15415130603873e-08  5.93744002613500e-09 -2.88175027774667e-08  -1.70677454688873e-12 -1.76589094095277e-12  5.42366479507200e-12 5.37391764509182e-12  -1.11643954291837e-12 -2.67235573569584e-12  1.15868171729417e-11 1.23264768214549e-11
-9.85466566566567e+00 5.25016654682205e-05  -1.79945641161923e+01   1.80213480428030e+00 1.80213480428030e+00  1.89845820546237e+00 1.89845820546237e+00  8.96235924148416e-04 1.22210449823170e-03  7.07329900773826e-05 7.17542151493990e-05  -2.55666589729668e-08 -2.53487856352532e-08  1.96638583136426e-08 3.51765632958741e-09  -1.36060318949214e-08 2.21183225083917e-08  6.09642474981911e-09 -2.95891388191228e-08  -1.77578396529974e-12 -1.83729059185035e-12  5.64295793712375e-12 5.59119937801808e-12  -1.16158015254604e-12 -2.78040616065228e-12  1.20553028998790e-11 1.28248689482933e-11
-9.84145345345345e+00 5.31999312743278e-05  -1.79945641161923e+01   1.80213478483518e+00 1.80213478483518e+00  1.89845820657895e+00 1.89845820657895e+00  9.08155751687106e-04 1.23835833776541e-03  7.16737304483141e-05 7.27085377183372e-05  -2.62512483240438e-08 -2.60275410693278e-08  2.01903904669555e-08 3.61184736433137e-09  -1.39703557807270e-08 2.27105769781644e-08  6.25966655098556e-09 -3.03814366850612e-08  -1.84758361738805e-12 -1.91157711985917e-12  5.87111768208608e-12 5.81726638725284e-12  -1.20854591665378e-12 -2.89282535064780e-12  1.25427307463507e-11 1.33434123896721e-11
-9.82824124124124e+00 5.39074839312737e-05  -1.79945641161923e+01   1.80213476486936e+00 1.80213476486936e+00  1.89845820772543e+00 1.89845820772543e+00  9.20234111412919e-04 1.25482835129530e-03  7.26269825585884e-05 7.36755526693404e-05  -2.69541686810755e-08 -2.67244712966340e-08  2.07310213847630e-08 3.70856051896395e-09  -1.43444350378456e-08 2.33186900355659e-08  6.42727941988508e-09 -3.11949496296103e-08  -1.92228631969569e-12 -1.98886724907143e-12  6.10850253021225e-12 6.05247388479929e-12  -1.25741063107409e-12 -3.00978994643063e-12  1.30498665924485e-11 1.38829219166414e-11
-9.81502902902903e+00 5.46244469530519e-05  -1.79945641161923e+01   1.80213474436889e+00 1.80213474436889e+00  1.89845820890261e+00 1.89845820890261e+00  9.32473111781602e-04 1.27151741390520e-03  7.35929128130717e-05 7.46554288098450e-05  -2.76759108868949e-08 -2.74400629771524e-08  2.12861285846728e-08 3.80786332739332e-09  -1.47285308823886e-08 2.39430863203627e-08  6.59938039904596e-09 -3.20302457213910e-08  -2.00000945023644e-12 -2.06928242304363e-12  6.35548547687073e-12 6.29719144482311e-12  -1.30825107540053e-12 -3.13148373080255e-12  1.35775072848257e-11 1.44442452436038e-11
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Pseudo.Potentials>


***********************************************************
**            Core electron densities for PCC            **
***********************************************************
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1.87777877877878e+00 6.53896423307327e+00  5.77167323225376e-10
1.89099099099099e+00 6.62593166716499e+00  5.11021988890440e-10
1.90420320320320e+00 6.71405575762047e+00  4.51816826079035e-10
1.91741541541542e+00 6.80335188782955e+00  3.98895579489656e-10
1.93062762762763e+00 6.89383564577933e+00  3.51657074988162e-10
1.94383983983984e+00 6.98552282677524e+00  3.09551079506208e-10
1.95705205205205e+00 7.07842943619835e+00  2.72074483080620e-10
1.97026426426426e+00 7.17257169229939e+00  2.38767762594546e-10
1.98347647647648e+00 7.26796602902986e+00  2.09211696359925e-10
1.99668868868869e+00 7.36462909891081e+00  1.83024304805671e-10
2.00990090090090e+00 7.46257777593982e+00  1.59857997524421e-10
2.02311311311311e+00 7.56182915853660e+00  1.39396910283258e-10
2.03632532532533e+00 7.66240057252779e+00  1.21354418193534e-10
2.04953753753754e+00 7.76430957417139e+00  1.05470813215216e-10
2.06274974974975e+00 7.86757395322156e+00  9.15111355453701e-11
2.07596196196196e+00 7.97221173603399e+00  7.92631496521820e-11
2.08917417417417e+00 8.07824118871276e+00  6.85354565634162e-11
2.10238638638639e+00 8.18568082029893e+00  5.91557347590058e-11
2.11559859859860e+00 8.29454938600153e+00  5.09691025408002e-11
2.12881081081081e+00 8.40486589047163e+00  4.38365953101983e-11
2.14202302302302e+00 8.51664959111987e+00  3.76337514691657e-11
2.15523523523524e+00 8.62992000147812e+00  3.22493010989885e-11
2.16844744744745e+00 8.74469689460584e+00  2.75839517529459e-11
2.18165965965966e+00 8.86100030654182e+00  2.35492660388455e-11
2.19487187187187e+00 8.97885053980174e+00  2.00666258054200e-11
2.20808408408408e+00 9.09826816692228e+00  1.70662779917219e-11
2.22129629629630e+00 9.21927403405238e+00  1.44864573678144e-11
2.23450850850851e+00 9.34188926459221e+00  1.22725815318274e-11
2.24772072072072e+00 9.46613526288066e+00  1.03765137427034e-11
2.26093293293293e+00 9.59203371793171e+00  8.75588926860869e-12
2.27414514514515e+00 9.71960660722060e+00  7.37350111808987e-12
2.28735735735736e+00 9.84887620052035e+00  6.19674115660782e-12
2.30056956956957e+00 9.97986506378927e+00  5.19709276790054e-12
2.31378178178178e+00 1.01125960631102e+01  4.34967137107162e-12
2.32699399399399e+00 1.02470923686820e+01  3.63280926011519e-12
2.34020620620621e+00 1.03833774588646e+01  3.02768138970586e-12
2.35341841841842e+00 1.05214751242771e+01  2.51796888817578e-12
2.36663063063063e+00 1.06614094719511e+01  2.08955724200132e-12
2.37984284284284e+00 1.08032049295386e+01  1.73026625459675e-12
2.39305505505506e+00 1.09468862495765e+01  1.42960904395860e-12
2.40626726726727e+00 1.10924785138077e+01  1.17857750663976e-12
2.41947947947948e+00 1.12400071375589e+01  9.69451832323881e-13
2.43269169169169e+00 1.13894978741777e+01  7.95631813602664e-13
2.44590390390390e+00 1.15409768195282e+01  6.51487847272459e-13
2.45911611611612e+00 1.16944704165462e+01  5.32229676703395e-13
2.47232832832833e+00 1.18500054598554e+01  4.33791069736612e-13
2.48554054054054e+00 1.20076091004449e+01  3.52728768465093e-13
2.49875275275275e+00 1.21673088504084e+01  2.86134182759870e-13
2.51196496496497e+00 1.23291325877474e+01  2.31556429615057e-13
2.52517717717718e+00 1.24931085612372e+01  1.86935442467542e-13
2.53838938938939e+00 1.26592653953585e+01  1.50543992523699e-13
2.55160160160160e+00 1.28276320952943e+01  1.20937572392297e-13
2.56481381381381e+00 1.29982380519927e+01  9.69111958342980e-14
2.57802602602603e+00 1.31711130472982e+01  7.74622625147684e-14
2.59123823823824e+00 1.33462872591500e+01  6.17587253064721e-14
2.60445045045045e+00 1.35237912668503e+01  4.91118796360132e-14
2.61766266266266e+00 1.37036560564024e+01  3.89531691597756e-14
2.63087487487488e+00 1.38859130259195e+01  3.08144711065111e-14
2.64408708708709e+00 1.40705939911062e+01  2.43113868422944e-14
2.65729929929930e+00 1.42577311908119e+01  1.91291201646454e-14
2.67051151151151e+00 1.44473572926588e+01  1.50105768783352e-14
2.68372372372372e+00 1.46395053987448e+01  1.17463652837480e-14
2.69693593593594e+00 1.48342090514214e+01  9.16641838058003e-15
2.71014814814815e+00 1.50315022391494e+01  7.13299532968862e-15
2.72336036036036e+00 1.52314194024321e+01  5.53485231867177e-15
2.73657257257257e+00 1.54339954398272e+01  4.28240182501339e-15
2.74978478478478e+00 1.56392657140392e+01  3.30370467280749e-15
2.76299699699700e+00 1.58472660580921e+01  2.54116158496329e-15
2.77620920920921e+00 1.60580327815848e+01  1.94879040892438e-15
2.78942142142142e+00 1.62716026770297e+01  1.48999216852805e-15
2.80263363363363e+00 1.64880130262750e+01  1.13572381071655e-15
2.81584584584585e+00 1.67073016070128e+01  8.63008235131974e-16
2.82905805805806e+00 1.69295066993743e+01  6.53723138959691e-16
2.84227027027027e+00 1.71546670926116e+01  4.93619603404669e-16
2.85548248248248e+00 1.73828220918692e+01  3.71529366452613e-16
2.86869469469469e+00 1.76140115250452e+01  2.78726556302633e-16
2.88190690690691e+00 1.78482757497442e+01  2.08415451193658e-16
2.89511911911912e+00 1.80856556603218e+01  1.55320723010726e-16
2.90833133133133e+00 1.83261926950236e+01  1.15360741656732e-16
2.92154354354354e+00 1.85699288432190e+01  8.53879699418409e-17
2.93475575575576e+00 1.88169066527309e+01  6.29833653815190e-17
2.94796796796797e+00 1.90671692372630e+01  4.62941070051134e-17
2.96118018018018e+00 1.93207602839260e+01  3.39059575608137e-17
2.97439239239239e+00 1.95777240608643e+01  2.47432173863917e-17
2.98760460460460e+00 1.98381054249827e+01  1.79905808916802e-17
3.00081681681682e+00 2.01019498297778e+01  1.30323175356106e-17
3.01402902902903e+00 2.03693033332722e+01  9.40510663749976e-18
3.02724124124124e+00 2.06402126060544e+01  6.76159378940086e-18
3.04045345345345e+00 2.09147249394263e+01  4.84233532141128e-18
3.05366566566567e+00 2.11928882536583e+01  3.45428067811188e-18
3.06687787787788e+00 2.14747511063547e+01  2.45433142144992e-18
3.08009009009009e+00 2.17603627009299e+01  1.73682712913685e-18
3.09330230230230e+00 2.20497728951979e+01  1.22405712329608e-18
3.10651451451451e+00 2.23430322100755e+01  8.59094584503655e-19
3.11972672672673e+00 2.26401918384019e+01  6.00406113971903e-19
3.13293893893894e+00 2.29413036538743e+01  4.17813161916270e-19
3.14615115115115e+00 2.32464202201044e+01  2.89478610948520e-19
3.15936336336336e+00 2.35555947997932e+01  1.99667577414196e-19
3.17257557557558e+00 2.38688813640294e+01  1.37090479117499e-19
3.18578778778779e+00 2.41863346017104e+01  9.36821613270985e-20
3.19900000000000e+00 2.45080099290896e+01  6.37069212024002e-20
density.PCC>
openmx-data 3.7.6-2 / usr / share / openmx / DFT_DATA13 / VPS / Bi_CA13.vps
