[Pw_forum] Graphene Phonons Not Working

[Paolo Giannozzi]

No. Only in 5.0.2.

Paolo

On Fri, Apr 22, 2016 at 11:50 AM, Hildebrand, Mariana <
mariana.hildebrand13 at imperial.ac.uk> wrote:

> Dear all, does the bug mentioned here also apply to version 4.3.1?
>
> Best,
> Mariana.
>
> From: <pw_forum-bounces at pwscf.org> on behalf of Paolo Giannozzi <
> p.giannozzi at gmail.com>
> Reply-To: PWSCF Forum <pw_forum at pwscf.org>
> Date: Thursday, 21 April 2016 22:03
> To: PWSCF Forum <pw_forum at pwscf.org>
>
> Subject: Re: [Pw_forum] Graphene Phonons Not Working
>
> 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
>
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>



-- 
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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