[Pw_forum] How to nscf with LDA+U

[Matteo Cococcioni]

Dear Vi,

just try. it should work as for "plain" DFT.

Matteo



On Thu, Aug 18, 2011 at 10:12 AM, Vi Vo <vovi47 at yahoo.com> wrote:

> Dear All,
>
> I am doing a test calculation for Ce3Te4, with LDA+U.  I finished the scf
> run with k-points grid of 9x9x9.  If I would like to run nscf calculation
> with higher kpt grid, I don't know if there is a special way to do it for
> LDA+U, or I can just run the nscf as normally done for plain DFT (LDA,
> PBE,...).
>
> Thank you very much,
>
> Vi
> University of Houston
>
>
>
>
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum
>
>


-- 
Matteo Cococcioni
Department of Chemical Engineering and Materials Science,
University of Minnesota
421 Washington Av. SE
Minneapolis, MN 55455
Tel. +1 612 624 9056    Fax +1 612 626 7246
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20110818/4e99d6dd/attachment.html>