Dear Niri,
first, thank you for your reply. I obvously missed that point in the Documentation. The approach is definitely the feature I was lking for. However, i tried to calculate your example getting the following error
tddft_input: unknown directive 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
17: ecut -10
I guess i have an outdated version. I currently use
nwchem branch = 6.0
I will recompile 6.1 and will try again. Maybe i will also try to use KS orbitals which i precalculated with a hole (1. calculöation with fractional occupation in core states according to 1electron hole). and then run the tddft core excitation calculation with KS orbitals with the hoile (guess-only) but electron configuration without hole. I will post if i will succeed. Please let me know what you think about this. Anyway, thanks for your help !
Best regards
Alexander
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