[Pw_forum] Graphene Phonons Not Working

[Abualnaja, Faris]

Hi Paolo,


On the supercomputer that I'm using, there is quantum-espresso/V.5.3.0 is that suitable? Or would you recommend using V.5.0.3 specifically?

regards,

Faris

________________________________
From: pw_forum-bounces at pwscf.org <pw_forum-bounces at pwscf.org> on behalf of Paolo Giannozzi <p.giannozzi at gmail.com>
Sent: 21 April 2016 20:12
To: PWSCF Forum
Subject: Re: [Pw_forum] Graphene Phonons Not Working



On Thu, Apr 21, 2016 at 5:42 PM, Abualnaja, Faris <f.abualnaja15 at imperial.ac.uk<mailto:f.abualnaja15 at imperial.ac.uk>> wrote:

I've been having trouble lately trying to produce graphene phonon dispersion plots. I am currently using quantum-espresso/5.0.2<http://5.0.2.>

V.5.0.2 has a nasty bug (fixed since v.5.0.3) that was leading to wrong phonons in some cases. Please try a more recent version

Paolo
--
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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