/usr/share/openmx/DFT_DATA13/VPS/Rb

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

#
# File Name
#

System.CurrentDir    ./             # default=./
System.Name            Rb_PBE13
Log.print             OFF            # ON|OFF

System.UseRestartfile  yes           # NO|YES, default=NO
System.Restartfile     Rb_PBE13       # default=null

#
# Calculation type
#

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

#
# Atom
#

AtomSpecies             37
max.occupied.N           5
total.electron        37.0
valence.electron       9.0 
<occupied.electrons 
 1   2.0
 2   2.0  6.0
 3   2.0  6.0  10.0
 4   2.0  6.0   0.0  0.0
 5   1.0  0.0   0.0  0.0  0.0
occupied.electrons>

#
# parameters for solving 1D-differential equations
#

grid.xmin             -9.0           # default=-7.0 rmin(a.u.)=exp(grid.xmin)
grid.xmax              3.6           # 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  0.600         # 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              7
<pseudo.NandL
 0  4  0  1.40  0.0   
 1  4  1  1.40  0.0   
 2  4  2  1.50  0.0  
 3  4  3  1.70  0.0  
 4  5  0  2.70  0.0  
 5  5  1  3.10  0.0  
 6  6  0  3.10  0.1  
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           1.90          # default=smallest_cutoff_vps
local.origin.ratio     2.00          # 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  3.2 3.2
 1  3.1 3.1
 2  3.1 3.1
 3  3.1 3.1
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              0.12          # 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     11.0           # 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     3200            # default=300
matching.point.ratio  0.67           # default=0.67
PAO.potential.charge  0.2            # default=0.0

*****************************************************
    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      -551.5958940063185     -551.5958940063185
 n=  2  l=  0       -73.6415233131900      -73.6415233131900
 n=  2  l=  1       -64.5690627760065      -66.7981982735863
 n=  3  l=  0       -10.9193104719037      -10.9193104719037
 n=  3  l=  1        -8.1316054904294       -8.4663024320508
 n=  3  l=  2        -3.7792976878168       -3.8360405573739
 n=  4  l=  0        -1.1666619799776       -1.1666619799776
 n=  4  l=  1        -0.5729406430748       -0.6050791414764
 n=  5  l=  0        -0.0818393213665       -0.0818393213665


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

 Eeigen =    -1760.2348763599721
 Ekin   =     3072.1717180488649
 EHart  =     1253.3327457817566
 Exc    =     -100.6018231037920
 Eec    =    -7208.5015325196218
 Etot   = Ekin + EHart + Exc + Eec
 Etot   =    -2983.5988917927925


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

j.dependent.pseudo.potentials   on

<VPS> L=0, dif of log deris for all electrons =  729.0867993324  729.0867993324
<VPS> L=0, dif of log deris for semi local    = 3075.3148671628 3075.3148671628
<VPS> L=1, dif of log deris for all electrons = 4119.4426250025  593.5339888026
<VPS> L=1, dif of log deris for semi local    = 8562.3985168155 65186.2743631960
<VPS> L=2, dif of log deris for all electrons = 99912.8505414777    9.2660058118
<VPS> L=2, dif of log deris for semi local    = 103266.1907448029   19.8284240124
<VPS> L=3, dif of log deris for all electrons =  182.9299476309  212.2847451703
<VPS> L=3, dif of log deris for semi local    =    8.3867225766    8.9201393645

<project.energies
13
 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
 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
-9.00000000000000e+00 1.23409804086680e-04  -9.47321427263759e+00   2.12073814264054e+01 2.12073814264054e+01  4.46183934462937e+00 4.46183934462937e+00  5.13390042334055e+00 5.13390042334055e+00  1.03129973621919e-04 -5.52501046638746e-04  -8.57001257186338e-04 -9.85651846740734e-04  -6.46571376629725e-07 -6.26047258008981e-07  1.25690288342144e-06 1.20906385486778e-06  -2.07141028012585e-06 -1.99151413525263e-06  4.86112731735695e-06 4.39001140221044e-06  -3.18109049559835e-11 -3.18229098547869e-11  9.47821624836251e-11 9.48033676195916e-11  -1.88690177583463e-10 -1.88693501929807e-10  3.16589503158521e-10 3.16419380808284e-10
-8.97475150300601e+00 1.26565385361405e-04  -9.47321427263759e+00   2.12073809491448e+01 2.12073809491448e+01  4.46183957329786e+00 4.46183957329786e+00  5.13390042612419e+00 5.13390042612419e+00  1.05766983939121e-04 -5.66628472082669e-04  -8.78914728633404e-04 -1.01085490559582e-03  -6.80059700776793e-07 -6.58472562125705e-07  1.32200253473984e-06 1.27168574591364e-06  -2.17869628334347e-06 -2.09466202154456e-06  5.11290308819211e-06 4.61738633669203e-06  -3.43140415239406e-11 -3.43269910642392e-11  1.02240381516141e-10 1.02263255241867e-10  -2.03537830725174e-10 -2.03541416657639e-10  3.41501298707130e-10 3.41317789768954e-10
-8.94950300601202e+00 1.29801654659704e-04  -9.47321427263759e+00   2.12073804471678e+01 2.12073804471678e+01  4.46183981381262e+00 4.46183981381262e+00  5.13390042905259e+00 5.13390042905259e+00  1.08471421120816e-04 -5.81117135487853e-04  -9.01388526291593e-04 -1.03670240518007e-03  -7.15282509105395e-07 -6.92577292686559e-07  1.39047393780310e-06 1.33755105633858e-06  -2.29153902550174e-06 -2.20315231840120e-06  5.37771925742240e-06 4.85653786001574e-06  -3.70141449061767e-11 -3.70281134199205e-11  1.10285472899338e-10 1.10310146512812e-10  -2.19553816018422e-10 -2.19557684120691e-10  3.68373353655406e-10 3.68175404765440e-10
-8.92425450901804e+00 1.33120675169491e-04  -9.47321427263759e+00   2.12073799191949e+01 2.12073799191949e+01  4.46184006678782e+00 4.46184006678782e+00  5.13390043213317e+00 5.13390043213317e+00  1.11245009163201e-04 -5.95976273729923e-04  -9.24436977673435e-04 -1.06321082380649e-03  -7.52329636962383e-07 -7.28448433394889e-07  1.46249172809669e-06 1.40682777482099e-06  -2.41022631064734e-06 -2.31726172901109e-06  5.65625123546982e-06 5.10807592523772e-06  -3.99267140274703e-11 -3.99417816956417e-11  1.18963616444958e-10 1.18990231575747e-10  -2.36830067183730e-10 -2.36834239659174e-10  3.97359916894741e-10 3.97146391802033e-10
-8.89900601202405e+00 1.36524562834272e-04  -9.47321427263759e+00   2.12073793638838e+01 2.12073793638838e+01  4.46184033287303e+00 4.46184033287303e+00  5.13390043537474e+00 5.13390043537474e+00  1.14089516136434e-04 -6.11215359874336e-04  -9.48074776645764e-04 -1.09039706113804e-03  -7.91295572598604e-07 -7.66177473160920e-07  1.53823958612193e-06 1.47969259079237e-06  -2.53506084925810e-06 -2.43728128803967e-06  5.94920941474291e-06 5.37264207712304e-06  -4.30684673919640e-11 -4.30847207048261e-11  1.28324625761633e-10 1.28353335183848e-10  -2.55465752021778e-10 -2.55470252820905e-10  4.28627374852150e-10 4.28397047896436e-10
-8.87375751503006e+00 1.40015487702099e-04  -9.47321427263759e+00   2.12073787798192e+01 2.12073787798192e+01  4.46184061274800e+00 4.46184061274800e+00  5.13390043878568e+00 5.13390043878568e+00  1.17006755311367e-04 -6.26844109215816e-04  -9.72316992796920e-04 -1.11827844896100e-03  -8.32279698160185e-07 -8.05860639443263e-07  1.61791070587135e-06 1.55633134508226e-06  -2.66636103030587e-06 -2.56351710391299e-06  6.25734098150040e-06 5.65091108841324e-06  -4.64574390494362e-11 -4.64749713029978e-11  1.38422234191189e-10 1.38453202700430e-10  -2.75567841649115e-10 -2.75572696607049e-10  4.62355206569884e-10 4.62106755646141e-10
-8.84850901803607e+00 1.43595675309025e-04  -9.47321427263759e+00   2.12073781655119e+01 2.12073781655119e+01  4.46184090712685e+00 4.46184090712685e+00  5.13390044237473e+00 5.13390044237473e+00  1.19998586314610e-04 -6.42872485472387e-04  -9.97179081044100e-04 -1.14687276223455e-03  -8.75386543161305e-07 -8.47599143675704e-07  1.70170828756722e-06 1.63693950390251e-06  -2.80446173330225e-06 -2.69629113954219e-06  6.58143182153493e-06 5.94359268082064e-06  -5.01130821129472e-11 -5.01319939444931e-11  1.49314403244569e-10 1.49347808603872e-10  -2.97251724525324e-10 -2.97256961510103e-10  4.98737013936723e-10 4.98469012906135e-10
-8.82326052104208e+00 1.47267408097924e-04  -9.47321427263759e+00   2.12073775193953e+01 2.12073775193953e+01  4.46184121676062e+00 4.46184121676062e+00  5.13390044615115e+00 5.13390044615115e+00  1.23066916312912e-04 -6.59310707137926e-04  -1.02267689148630e-03 -1.17619823042271e-03  -9.20726051085251e-07 -8.91499439405549e-07  1.78984605592082e-06 1.72172265738116e-06  -2.94971518240361e-06 -2.83594203348495e-06  6.92230852456124e-06 6.25143333516152e-06  -5.40563804220797e-11 -5.40767803878411e-11  1.61063655307961e-10 1.61099689268179e-10  -3.20641868796787e-10 -3.20647517869329e-10  5.37981632986234e-10 5.37692543489968e-10
-8.79801202404810e+00 1.51033026873598e-04  -9.47321427263759e+00   2.12073768398216e+01 2.12073768398216e+01  4.46184154243915e+00 4.46184154243915e+00  5.13390045012461e+00 5.13390045012461e+00  1.26213701228003e-04 -6.76169253997237e-04  -1.04882667950912e-03 -1.20627354911604e-03  -9.68413859793790e-07 -9.37673493801962e-07  1.88254880523443e-06 1.81089704391718e-06  -3.10249184475406e-06 -2.98282596363846e-06  7.28084049242193e-06 6.57521819524496e-06  -5.83099689927403e-11 -5.83319741910207e-11  1.73737432528922e-10 1.73776301929396e-10  -3.45872536759022e-10 -3.45878630345675e-10  5.80314332641031e-10 5.80002495269877e-10
-8.77276352705411e+00 1.54894932295089e-04  -9.47321427263759e+00   2.12073761250578e+01 2.12073761250578e+01  4.46184188499331e+00 4.46184188499331e+00  5.13390045430517e+00 5.13390045430517e+00  1.29440946982423e-04 -6.93458873807467e-04  -1.07564511614798e-03 -1.23711789195053e-03  -1.01857159645996e-06 -9.86239073226711e-07  1.98005297273612e-06 1.90469010169370e-06  -3.26318137535678e-06 -3.13731755566636e-06  7.65794215648494e-06 6.91577307037146e-06  -6.28982639449136e-11 -6.29220006882472e-11  1.87408483942536e-10 1.87450411898383e-10  -3.73088555538635e-10 -3.73095128617308e-10  6.25978107783868e-10 6.25641732553023e-10
-8.74751503006012e+00 1.58855586406142e-04  -9.47321427263759e+00   2.12073753732811e+01 2.12073753732811e+01  4.46184224529681e+00 4.46184224529681e+00  5.13390045870366e+00 5.13390045870366e+00  1.32750710776974e-04 -7.11190589150455e-04  -1.10314929871629e-03 -1.26875092283112e-03  -1.07132718777648e-06 -1.03732004359564e-06  2.08260724160962e-06 2.00334104875581e-06  -3.43219361088359e-06 -3.29981083847618e-06  8.05457530988743e-06 7.27396654154776e-06  -6.78476026541669e-11 -6.78732071943682e-11  2.02155283059738e-10 2.02200510242554e-10  -4.02446148418650e-10 -4.02453238719596e-10  6.75235074077771e-10 6.74872230152109e-10
-8.72226653306613e+00 1.62917514204817e-04  -9.47321427263759e+00   2.12073745825743e+01 2.12073745825743e+01  4.46184262426900e+00 4.46184262426900e+00  5.13390046333126e+00 5.13390046333126e+00  1.36145102401017e-04 -7.29375704460585e-04  -1.13135676170538e-03 -1.30119280846796e-03  -1.12681518623099e-06 -1.09104668629697e-06  2.19047317525726e-06 2.10710149313294e-06  -3.60995961495762e-06 -3.47072024918447e-06  8.47175156057522e-06 7.65071217678987e-06  -7.31863949313972e-11 -7.32140142416626e-11  2.18062478314829e-10 2.18111264334176e-10  -4.34113831579178e-10 -4.34121479801563e-10  7.28367972541838e-10 7.27976577152684e-10
-8.69701803607214e+00 1.67083305253221e-04  -9.47321427263759e+00   2.12073737509206e+01 2.12073737509206e+01  4.46184302287648e+00 4.46184302287648e+00  5.13390046819973e+00 5.13390046819973e+00  1.39626285576049e-04 -7.48025813231984e-04  -1.16028548796321e-03 -1.33446423123308e-03  -1.18517711328033e-06 -1.14755603047217e-06  2.30392588441386e-06 2.21623607456163e-06  -3.79693277757505e-06 -3.65048169013304e-06  8.91053491139511e-06 8.04697086116619e-06  -7.89452860986092e-11 -7.89750787171615e-11  2.35221378957806e-10 2.35274003851398e-10  -4.68273381400813e-10 -4.68281631446337e-10  7.85681792519101e-10 7.85259599008878e-10
-8.67176953907816e+00 1.71355615328407e-04  -9.47321427263759e+00   2.12073728761996e+01 2.12073728761996e+01  4.46184344213629e+00 4.46184344213629e+00  5.13390047332171e+00 5.13390047332171e+00  1.43196479333223e-04 -7.67152805410586e-04  -1.18995392015886e-03 -1.36858640234589e-03  -1.24656182029895e-06 -1.20699220250683e-06  2.42325472881266e-06 2.33102313944535e-06  -3.99358997146963e-06 -3.83955364065131e-06  9.37204447381759e-06 8.46375324751959e-06  -8.51573328967931e-11 -8.51894698369096e-11  2.53730479180554e-10 2.53787245021714e-10  -5.05120877883131e-10 -5.05129777108026e-10  8.47505522352307e-10 8.47050107278442e-10
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3.54850300601202e+00 3.47612411493295e+01  -2.58909052231785e-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  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.57375150300601e+00 3.56500839966934e+01  -2.52453823132605e-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  0.00000000000000e+00 0.00000000000000e+00  0.00000000000000e+00 0.00000000000000e+00
3.59900000000000e+00 3.65616545022534e+01  -2.46159538511840e-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  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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1.40238076152305e+00 4.06486593250799e+00  8.42791605945990e-09
1.42762925851703e+00 4.16880431014192e+00  6.45218265223390e-09
1.45287775551102e+00 4.27540038584623e+00  5.00047258365334e-09
1.47812625250501e+00 4.38472211680087e+00  3.92533058562909e-09
1.50337474949900e+00 4.49683919784682e+00  3.12432655970282e-09
1.52862324649299e+00 4.61182310591792e+00  2.52478565948122e-09
1.55387174348697e+00 4.72974714560895e+00  2.07417473386222e-09
1.57912024048096e+00 4.85068649590875e+00  1.73392546962916e-09
1.60436873747495e+00 4.97471825812840e+00  1.47537781562146e-09
1.62961723446894e+00 5.10192150505486e+00  1.27705232587818e-09
1.65486573146293e+00 5.23237733136150e+00  1.12277796898128e-09
1.68011422845691e+00 5.36616890530764e+00  1.00037849046150e-09
1.70536272545090e+00 5.50338152175996e+00  9.00731985413471e-10
1.73061122244489e+00 5.64410265656978e+00  8.17084006103199e-10
1.75585971943888e+00 5.78842202234066e+00  7.44533172056595e-10
1.78110821643287e+00 5.93643162562207e+00  6.79632572182437e-10
1.80635671342685e+00 6.08822582556539e+00  6.20067929067984e-10
1.83160521042084e+00 6.24390139407985e+00  5.64388216857453e-10
1.85685370741483e+00 6.40355757752659e+00  5.11776398230106e-10
1.88210220440882e+00 6.56729615999023e+00  4.61855985402416e-10
1.90735070140281e+00 6.73522152816831e+00  4.14532771215101e-10
1.93259919839679e+00 6.90744073791996e+00  3.69871250465288e-10
1.95784769539078e+00 7.08406358251620e+00  3.28003683239503e-10
1.98309619238477e+00 7.26520266263540e+00  2.89067955237814e-10
2.00834468937876e+00 7.45097345814848e+00  2.53169209673549e-10
2.03359318637275e+00 7.64149440173975e+00  2.20359856812687e-10
2.05884168336673e+00 7.83688695441013e+00  1.90632868090442e-10
2.08409018036072e+00 8.03727568291103e+00  1.63923956217432e-10
2.10933867735471e+00 8.24278833915822e+00  1.40119104362884e-10
2.13458717434870e+00 8.45355594167626e+00  1.19064769091817e-10
2.15983567134269e+00 8.66971285912554e+00  1.00578853872530e-10
2.18508416833667e+00 8.89139689596500e+00  8.44611912383253e-11
2.21033266533066e+00 9.11874938030530e+00  7.05027790146675e-11
2.23558116232465e+00 9.35191525400844e+00  5.84933967700070e-11
2.26082965931864e+00 9.59104316509109e+00  4.82275052609271e-11
2.28607815631263e+00 9.83628556249077e+00  3.95085102051663e-11
2.31132665330661e+00 1.00877987932552e+01  3.21515999736923e-11
2.33657515030060e+00 1.03457432022167e+01  2.59854333158228e-11
2.36182364729459e+00 1.06102832342153e+01  2.08529225086490e-11
2.38707214428858e+00 1.08815875389357e+01  1.66113910258770e-11
2.41232064128257e+00 1.11598290784250e+01  1.31323130392702e-11
2.43756913827655e+00 1.14451852373593e+01  1.03007958054435e-11
2.46281763527054e+00 1.17378379361304e+01  8.01491383448253e-12
2.48806613226453e+00 1.20379737468233e+01  6.18495984444634e-12
2.51331462925852e+00 1.23457840121603e+01  4.73264607398288e-12
2.53856312625251e+00 1.26614649674855e+01  3.59027059572447e-12
2.56381162324649e+00 1.29852178658689e+01  2.69985542236376e-12
2.58906012024048e+00 1.33172491064094e+01  2.01226260257732e-12
2.61430861723447e+00 1.36577703658186e+01  1.48629766504056e-12
2.63955711422846e+00 1.40069987333687e+01  1.08781374521480e-12
2.66480561122245e+00 1.43651568492918e+01  7.88832603441563e-13
2.69005410821643e+00 1.47324730467170e+01  5.66699649719351e-13
2.71530260521042e+00 1.51091814972382e+01  4.03288908768345e-13
2.74055110220441e+00 1.54955223602026e+01  2.84271039915722e-13
2.76579959919840e+00 1.58917419358175e+01  1.98453693142849e-13
2.79104809619239e+00 1.62980928221718e+01  1.37199303384557e-13
2.81629659318637e+00 1.67148340762723e+01  9.39214424535624e-14
2.84154509018036e+00 1.71422313791979e+01  6.36574407882992e-14
2.86679358717435e+00 1.75805572054767e+01  4.27123627454943e-14
2.89204208416834e+00 1.80300909967942e+01  2.83676268216614e-14
2.91729058116233e+00 1.84911193401430e+01  1.86465542851898e-14
2.94253907815631e+00 1.89639361505277e+01  1.21287889462681e-14
2.96778757515030e+00 1.94488428583421e+01  7.80570776371734e-15
2.99303607214429e+00 1.99461486015369e+01  4.96948414019786e-15
3.01828456913828e+00 2.04561704227019e+01  3.12923329186661e-15
3.04353306613227e+00 2.09792334711865e+01  1.94854642258276e-15
3.06878156312625e+00 2.15156712103896e+01  1.19961897576147e-15
3.09403006012024e+00 2.20658256303494e+01  7.30035779553723e-16
3.11927855711423e+00 2.26300474657683e+01  4.39052606986139e-16
3.14452705410822e+00 2.32086964196145e+01  2.60890772829047e-16
3.16977555110221e+00 2.38021413924392e+01  1.53131147655564e-16
3.19502404809619e+00 2.44107607175586e+01  8.87602815379823e-17
3.22027254509018e+00 2.50349424022489e+01  5.07933088056116e-17
3.24552104208417e+00 2.56750843751093e+01  2.86882558008020e-17
3.27076953907816e+00 2.63315947397492e+01  1.59876053093797e-17
3.29601803607214e+00 2.70048920349628e+01  8.78842149230276e-18
3.32126653306613e+00 2.76954055015562e+01  4.76373731416876e-18
3.34651503006012e+00 2.84035753559970e+01  2.54536589464593e-18
3.37176352705411e+00 2.91298530710615e+01  1.34019775428248e-18
3.39701202404810e+00 2.98747016636577e+01  6.95103235910938e-19
3.42226052104209e+00 3.06385959900082e+01  3.55002780817515e-19
3.44750901803607e+00 3.14220230483806e+01  1.78464252861008e-19
3.47275751503006e+00 3.22254822895590e+01  8.82749637251038e-20
3.49800601202405e+00 3.30494859352540e+01  4.29452639858679e-20
3.52325450901804e+00 3.38945593046544e+01  2.05401643143778e-20
3.54850300601202e+00 3.47612411493295e+01  9.65423943151997e-21
3.57375150300601e+00 3.56500839966934e+01  4.45726024004289e-21
3.59900000000000e+00 3.65616545022534e+01  2.02050924517110e-21
density.PCC>
openmx-data 3.7.6-2 / usr / share / openmx / DFT_DATA13 / VPS / Rb_PBE13.vps
