### The atomic HF calculation of Ne

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

System.CurrentDirectory    ./
System.Name                 Ne
<<< Calculation type >>>
eq.type                     sch
calc.type                   FEMHF
xc.type                     HF
<<< Atom >>>
AtomSpecies                 10
max.ocupied.N               2
total.electron              10.0000
valence.electron            8.0000

grid.xmax                  10.000    # rmax=xmax^2
grid.num                    1265
<<< SCF >>>
scf.maxIter                 50
scf.Mixing.Type             Pulay
scf.Init.Mixing.Weight      0.10000
scf.Min.Mixing.Weight       0.00100
scf.Max.Mixing.Weight       0.80000
scf.criterion               1.000e-30

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

n=  1  l=  0        -32.772442793209057
n=  2  l=  0         -1.930390879935794
n=  2  l=  1         -0.850409650347532

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

Etot   =     -128.547098109321686
Etot   = Ekin + EHart + Exc + Eec

Ekin   =      128.547098109140739
EHart  =       66.147323592101587
Eec    =     -311.133169079409217
Exc    =      -12.108350731154795

Exc    = Ex + Ecorr = (Ex-Ekin_x) + (Ecorr-Ekin_c) + Ekin_x + Ekin_c
Ex     =      -12.108350731154795
Ecorr  =        0.000000000000000
Ekin_x =        0.000000000000000
Ekin_c =        0.000000000000000

Eeigen =      -74.508125248374896

Virial theorem  2*(Ekin+Ekin_x+Ekin_c)+(EHart+Eec+Exc-Ekin_x-Ekin_c) = -0.000000000180948
Virial theorem (EHart+Eec+Exc-Ekin_x-Ekin_c)/(Ekin+Ekin_x+Ekin_c)    = -2.000000000001408