[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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