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

Stefano Baroni baroni at sissa.it
Fri Nov 16 19:00:54 CET 2007


Dear Mr. Unknown,

it depends on the system you are treating. Each individual phonon  
mode costs roughly as much as a single ground-state calculation. So,  
the total cost scale as (number of atoms) * (cost of a ground-state  
calc), i.e. of the orther of the fourth power of the numbr of atoms ...

Also, please do not forget to sign your posts - that practice is very  
much appreciated by this community.

Cheers - Stefano Baroni

On Nov 15, 2007, at 6:36 AM, shoutian sun 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?
> > Thank you.
>
>
>
> @yahoo.cn 新域名、无限量,快来抢注!
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum

---
Stefano Baroni - SISSA  &  DEMOCRITOS National Simulation Center -  
Trieste
[+39] 040 3787 406 (tel) -528 (fax) / stefanobaroni (skype)

Please, if possible, don't  send me MS Word or PowerPoint attachments
Why? See:  http://www.gnu.org/philosophy/no-word-attachments.html



-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.democritos.it/pipermail/pw_forum/attachments/20071116/bc1608bd/attachment.htm 


More information about the Pw_forum mailing list