[Wien] How to calculate atomic energies of unoccupied states of an isolated atom?

[Martin Gmitra]

Dear Wien2k users,

Is it possible to obtain energy levels for the unoccupied states of an
isolated atom?
For instance, what would be energies for the empty 3d-shells of Carbon atom?

I have included in case.inst the 3d-shells but LSTART stops with NSTOP=...
FOR
THE ORBITAL  3D*. Here I am including my case.inst:

C
He 5
2,-1,1.0  N
2,-1,1.0  N
2, 1,1.0  N
2, 1,0.0  N
2,-2,1.0  N
2,-2,0.0  N
3, 2,0.0  N
3, 2,0.0  N
3,-3,0.0  N
3,-3,0.0  N
****
****         END of input (instgen_lapw)

Thanks in advance,
Martin Gmitra
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