[Wien] 4f in core
Javad Hashemifar
s_javad at yahoo.com
Mon Aug 9 17:39:53 CEST 2004
Please have a look at the following explanation in Wine2k homepage about open
core calculations:
http://www.wien2k.at/reg_user/faq/open_core.html
I think it can help you.
regards.
Javad Hashemifar
--- jan kunes <kunes at yammer.ucdavis.edu> wrote:
> Does anybody know if it is possible and how to force 4f states to stay in
> core? I guess that this can be done by adding a confining potential to
> case.vsp for this particular orbital. I know that I can use the two window
> semicore scheme, but for whatever reason I am not getting satisfactory
> results so I'd like to try f's in core if possible.
>
> Jan
>
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