### The atomic LDA calculation of Nb

```***************************************************
Input file
***************************************************

System.CurrentDirectory    ./
System.Name                 Nb0
<<< Calculation type >>>
eq.type                     sch
calc.type                   ALLFEM
xc.type                     LDA
<<< Atom >>>
AtomSpecies                 41
max.ocupied.N               5
total.electron              41.0000
valence.electron            13.0000

grid.xmax                  10.000    # rmax=xmax^2
grid.num                    6403
<<< SCF >>>
scf.maxIter                 200
scf.Mixing.Type             Simple
scf.Init.Mixing.Weight      0.10000
scf.Min.Mixing.Weight       0.00100
scf.Max.Mixing.Weight       0.80000
scf.criterion               1.000e-100

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

n=  1  l=  0       -673.861853111580863
n=  2  l=  0        -92.847193370615489
n=  2  l=  1        -85.377907234381483
n=  3  l=  0        -15.497955683665375
n=  3  l=  1        -12.657122450717255
n=  3  l=  2         -7.444698432188175
n=  4  l=  0         -2.132735802370929
n=  4  l=  1         -1.341612082318071
n=  4  l=  2         -0.191011695359923
n=  5  l=  0         -0.170990138418707

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

Etot   =    -3751.196670731219639
Etot   = Ekin + EHart + Exc + Eec

Ekin   =     3748.503700740780111
EHart  =     1547.523042162315178
Eec    =    -8934.647350673311803
Exc    =     -112.576062961003124

Exc    = Ex + Ecorr = (Ex-Ekin_x) + (Ecorr-Ekin_c) + Ekin_x + Ekin_c
Ex     =     -108.806054872410375
Ecorr  =       -3.770008088592749
Ekin_x =       -0.000000000000000
Ekin_c =        2.692969990421397

Eeigen =    -2240.301326225765102

Virial theorem  2*(Ekin+Ekin_x+Ekin_c)+(EHart+Eec+Exc-Ekin_x-Ekin_c) = -0.000000000018131
Virial theorem (EHart+Eec+Exc-Ekin_x-Ekin_c)/(Ekin+Ekin_x+Ekin_c)    = -2.000000000000005
```