[Pw_forum] Graphene Phonons Not Working

[Paolo Giannozzi]

I don't know if it is suitable, but for sure it doesn't contain that
specific bug! If you have access to v.5.3, please give it a try

Paolo

On Thu, Apr 21, 2016 at 9:53 PM, Abualnaja, Faris <
f.abualnaja15 at imperial.ac.uk> wrote:

> 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> 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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>



-- 
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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