Dear Prof. Paolo Giannozzi,
I am new to phonon calculations. What should I do to remove the error ? Should
I specify additional keywords in inputs?
Best
Jibiao Li
Yangtze Normal University, China
------------------ Original ------------------
From: "p.giannozzi"<[email protected]>;
Date: Fri, Dec 28, 2018 04:28 PM
To: "Quantum Espresso users Forum"<[email protected]>;
Subject: Re: [QE-users] 'q not allowed' error in phonon dispersioncalculations
On Fri, Dec 28, 2018 at 6:19 AM Fabrizio Cossu <[email protected]> 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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