Dear wien users
I have a system with Tantalum(xenon core, 4f orbital full(14
electrons), 5d and 6s valence).
instgen put 4f orbitals in valence subset of the basis. We would
like to put it in core ie ([xe]4f) as core.
Do I have to go for "open core" treatment explained in FAQ or there
is a way to get around without open core or LDA+U treatment.
best regards
sahu