[Pw_forum] Why ph.x cost so much time.

[Eyvaz Isaev]

Hi,

--- shoutian sun <sunshoutian168 at yahoo.com.cn> wrote:
> I calculate phonons with ph.x. It cost me more
> than a week, some even two  months.
> could anyone tell me that is mormal?

Please do not forget provide your affiliation.

Well, It may depend on:

cutoff energy 
k-points
symmetry
tolerance 
number of atoms (modes) 
CPU's number
network problem
etc., etc., 

If you mean the same calculation takes considerably
different time (on the same computer system) for the
same q-point, I guess, it is a problem due to your
system. If you mean time elapsed is different for
different q-points that is normal.

Bests,
Eyvaz.

> > Thank you. 
> 
> 
> 
>        
> ---------------------------------
>  @yahoo.cn ÐÂÓòÃû¡¢ÎÞÏÞÁ¿£¬¿ìÀ´ÇÀ×¢£¡>
_______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum
> 


-------------------------------------------------------------------
Prof. Eyvaz Isaev, 
Theoretical Physics Department, Moscow State Institute of Steel & Alloys, Russia, and 
Condensed Matter Theory Group, Uppsala University, Sweden Eyvaz.Isaev at fysik.uu.se, eyvaz_isaev at yahoo.com


      ____________________________________________________________________________________
Never miss a thing.  Make Yahoo your home page. 
http://www.yahoo.com/r/hs