[Pw_forum] branch of DFT_plus_U_for_PH

Paolo Giannozzi p.giannozzi at gmail.com
Tue Dec 22 09:07:39 CET 2015


The "DFT_plus_U_for_PH" branch just contains the QE version from which the
DFT+U phonon code was forked:
  "Creating a branch from the past: DFT+U for PH (r9659, compatible with QE
5.0.2)".
Sooner or later (later more likely than sooner), the DFT+U code will be
ported into this branch and aligned to the current QE version. Work hasn't
yet started as far as I know.

Paolo

On Sun, Dec 20, 2015 at 6:07 AM, W2AGZ <w2agz at w2agz.com> wrote:

> *I, too, would like to know as well.*
>
>
>
> *From:* pw_forum-bounces at pwscf.org [mailto:pw_forum-bounces at pwscf.org] *On
> Behalf Of *hushujun
> *Sent:* Saturday, December 19, 2015 6:09 PM
> *To:* pw_forum at pwscf.org
> *Subject:* [Pw_forum] branch of DFT_plus_U_for_PH
>
>
>
> Dear all Q-E developers and Spigafi,
>
>
>
> I would like to know if the branch of DFT_plus_U_for_PH is available?
>
>
>
> I have downloaded the cvs version, but still got the error message:
>
>
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>
>      Error in routine phq_readin (1):
>
>      The phonon code with LDA+U is not yet available
>
>
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>
>
>
> Regards
>
>
>
> Shujun Hu
>
>
>
>
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>



-- 
Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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