[Wien] about cfp

novakp at fzu.cz novakp at fzu.cz
Mon Dec 8 07:59:24 CET 2014


Dear Leila,

this is one problem we are working on. 3d and 5f electrons are more
delocalized compared to 4f and this makes the first step - correlated
electrons in the core - more difficult. On the other hand their
selfinteraction is weaker and there are other ways how to get rid of it.

Pavel Novak
> Dear wien2k's users,
>
> I am interested in the cfp software by Pavel Novak. On the unsupported
> software goodies said that this software calculates crystal field
> parameters in rare-earth systems. I want to know can I use it for other
> systems such as 5f or d electrons?
>
> Thank you,
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> SEARCH the MAILING-LIST at:
> http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
>



More information about the Wien mailing list