The atomic LDA calculation of Rn
***************************************************
Input file
***************************************************
System.CurrentDirectory ./
System.Name Rn0
<<< Calculation type >>>
eq.type sch
calc.type ALLFEM
xc.type LDA
<<< Atom >>>
AtomSpecies 86
max.ocupied.N 6
total.electron 86.0000
valence.electron 18.0000
grid.xmax 10.000 # rmax=xmax^2
grid.num 9274
<<< SCF >>>
scf.maxIter 200
scf.Mixing.Type Simple
scf.Init.Mixing.Weight 0.10000
scf.Min.Mixing.Weight 0.00100
scf.Max.Mixing.Weight 0.30000
scf.criterion 1.000e-100
*****************************************************
Eigenvalues (Hartree) in all electron calculation
*****************************************************
n= 1 l= 0 -3204.756287331811385
n= 2 l= 0 -546.577960245369099
n= 2 l= 1 -527.533024665197940
n= 3 l= 0 -133.369144587007132
n= 3 l= 1 -124.172862352301435
n= 3 l= 2 -106.945006437836586
n= 4 l= 0 -31.230803586586658
n= 4 l= 1 -27.108985239799075
n= 4 l= 2 -19.449994456056558
n= 4 l= 3 -8.953318244980493
n= 5 l= 0 -5.889682695436627
n= 5 l= 1 -4.408702578195087
n= 5 l= 2 -1.911329435405377
n= 6 l= 0 -0.626570522664925
n= 6 l= 1 -0.293179841186054
*****************************************************
Energies (Hartree) in all electron calculation
*****************************************************
Etot = -21861.346868934921797
Etot = Ekin + EHart + Exc + Eec
Ekin = 21854.672695751616637
EHart = 8632.016034838784851
Eec = -51966.120374468895122
Exc = -381.915225056428162
Exc = Ex + Ecorr = (Ex-Ekin_x) + (Ecorr-Ekin_c) + Ekin_x + Ekin_c
Ex = -372.888306255033665
Ecorr = -9.026918801394497
Ekin_x = -0.000000000000000
Ekin_c = 6.674173183214244
Eeigen = -13354.411184720541311
Virial theorem 2*(Ekin+Ekin_x+Ekin_c)+(EHart+Eec+Exc-Ekin_x-Ekin_c) = -0.000000000090917
Virial theorem (EHart+Eec+Exc-Ekin_x-Ekin_c)/(Ekin+Ekin_x+Ekin_c) = -2.000000000000004