[Pw_forum] Hubbard forces without Hubbard U
Matteo Cococcioni
matteo at umn.edu
Thu Aug 14 15:43:31 CEST 2014
Dear Dmitry,
it should be working. what version of the code are you using?
Matteo
On Wed, Aug 13, 2014 at 10:47 AM, Dmitry Novoselov <dnovoselov at gmail.com>
wrote:
> Dear all,
>
> It seems that in the part of the code where the Hubbard forces is
> calculated (forces and force_hub subroutines), the Hubbard U correction
> does not taken into account. Is it ok?
>
> Thank you!
>
> --
>
> *Best regards,*
>
>
> *Dr. Dmitry Novoselov Institute for Metal Physics,*
> *Yekaterinburg, Russia*
>
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20140814/d47e2b57/attachment.html>
More information about the users
mailing list