[QE-users] 'q not allowed' error in phonon dispersion calculations

Paolo Giannozzi p.giannozzi at gmail.com
Fri Dec 28 09:28:23 CET 2018


On Fri, Dec 28, 2018 at 6:19 AM Fabrizio Cossu <fabrizio.cossu at apctp.org>
wrote:

>    Dear Jibiao Li,
> the q-grid must be a subset of the k-grid.
>

I don't think so. Once upon a time this was true, but it is no longer.

Paolo

   Regards,
>    Fabrizio Cossu
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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