[Wien] Calculating Ueff from ab-initio calculations

tran at theochem.tuwien.ac.at tran at theochem.tuwien.ac.at
Wed Jan 21 12:26:14 CET 2015


http://www.wien2k.at/reg_user/textbooks/Constraint_U.pdf

On Wed, 21 Jan 2015, saurabh samant wrote:

> Dear WIEN2k users,
>
> Is there a way to calculate Ueff of LDA+U from ab-initio calculations.
> Plz explain.
>
> With regards
>
> Saurabh Samant
> _______________________________________________
> 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