### The atomic LDA calculation of Tc

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

System.CurrentDirectory    ./
System.Name                 Tc0
<<< Calculation type >>>
eq.type                     sch
calc.type                   ALLFEM
xc.type                     LDA
<<< Atom >>>
AtomSpecies                 43
max.ocupied.N               5
total.electron              43.0000
valence.electron            15.0000

grid.xmax                  10.000    # rmax=xmax^2
grid.num                    6557
<<< SCF >>>
scf.maxIter                 200
scf.Mixing.Type             Simple
scf.Init.Mixing.Weight      0.10000
scf.Min.Mixing.Weight       0.00100
scf.Max.Mixing.Weight       0.40000
scf.criterion               1.000e-100

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

n=  1  l=  0       -745.617230530487974
n=  2  l=  0       -104.435112394072632
n=  2  l=  1        -96.478439707300962
n=  3  l=  0        -18.005551511798800
n=  3  l=  1        -14.911939685095840
n=  3  l=  2         -9.209359882475523
n=  4  l=  0         -2.431702092773690
n=  4  l=  1         -1.528933731473809
n=  4  l=  2         -0.181697126514968
n=  5  l=  0         -0.150642321000169

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

Etot   =    -4202.246681068370258
Etot   = Ekin + EHart + Exc + Eec

Ekin   =     4199.381474950556075
EHart  =     1730.060209774903755
Eec    =   -10009.894086437430105
Exc    =     -121.794279356399983

Exc    = Ex + Ecorr = (Ex-Ekin_x) + (Ecorr-Ekin_c) + Ekin_x + Ekin_c
Ex     =     -117.792842864777191
Ecorr  =       -4.001436491622791
Ekin_x =       -0.000000000000000
Ekin_c =        2.865206117794786

Eeigen =    -2511.829495706335066

Virial theorem  2*(Ekin+Ekin_x+Ekin_c)+(EHart+Eec+Exc-Ekin_x-Ekin_c) = -0.000000000019399
Virial theorem (EHart+Eec+Exc-Ekin_x-Ekin_c)/(Ekin+Ekin_x+Ekin_c)    = -2.000000000000005
```