[Pw_forum] Pseudo potentials for hybrid DFT
Eyvaz Isaev
eyvaz_isaev at yahoo.com
Mon Apr 18 20:19:37 CEST 2011
From: Paolo Giannozzi <giannozz at democritos.it>
To: PWSCF Forum <pw_forum at pwscf.org>
Sent: Mon, April 18, 2011 6:36:42 PM
Subject: Re: [Pw_forum] Pseudo potentials for hybrid DFT
On Apr 18, 2011, at 18:25 , Eyvaz Isaev wrote:
> Variable: input_dft
> [...]
> But as far as I remember this works (at least, worked) for norm-
> conserving pseudopotentials only.
>just a remark: hybrid functionals work only for norm-conserving
> pseudopotentials, but variable input_dft works in all cases
Paolo, thanks for the correction. Of course, I meant hybrid functionals.
Bests,
Eyvaz.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110418/2224c3cd/attachment.htm
More information about the Pw_forum
mailing list