[Pw_forum] ph.x taking a lot of time to run!

Hanyu ouuing at gmail.com
Tue Apr 6 06:45:17 CEST 2010


Generally, the dynamics calculation will cost a long time. so you need
much better claculation source. I think 8 points perhaps are not
enough. nq1=4,nq2=4,na3=4, perhaps more is better.

best regards.

On Tue, Apr 6, 2010 at 2:10 AM, Elie Moujaes <elie.moujaes at hotmail.co.uk> wrote:
> Dear PWSCF users,
>
> Hope you all had a happy Easter. I am running the ph.x code for graphene(and
> Thankfully no errors are encountered). it is just that it IS taking a really
> long time to produce the dynamical matrices on the q grid I specified which
> is:
>
> nq1= 2, nq2=2, nq3=2 (a total of 8 points).. It is taking like an our to
> produce the .dyn files for every q point. I do not think it should require
> that much time. Is there something I might be missing?
>
>
> Thank you
>
> Elie Moujaes
> University of Nottingham
> NG7 2RD
> UK
>
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-- 
-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=**=-=**=-=**=-=*=-=*=-=*=-=*=-=*=-
 Hanyu Liu(刘寒雨),
 MS.
 State key  Laboratory of Superhard Materials, Jilin University, China
 Email: liuhanyu08 at mails.jlu.edu.cn    ouuing at gmail.com



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