[Pw_forum] (no subject)

[Stefano Baroni]

On Aug 1, 2008, at 9:10 AM, meisam aghtar wrote:

> Dear all
>
>  I want to relax a system containing hydrogenated nanotube. The BFGS  
> method was used
> But after some cycles it didn’t converge anymore. I changed some  
> parameters such as Kpoint,con-thr , mixing method , mixing- 
> beta ,ecutrho, etc but it didn’t work. What should I do?

provide some information on what you actually did (input file) and  
what you agtually got (sample of the output file)
also, a short description of the content of your post in the subject  
field of the mail, as well as a more intellegible affiliation would be  
appreciated

SB

>
> Thank you.
>
> M.aghtar
> Msc student, physics department of Kashan university
>
> _______________________________________________
> 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
http://www.sissa.it/~baroni / [+39] 040 3787 406 (tel) -528 (fax) /  
stefanobaroni (skype)

La morale est une logique de l'action comme la logique est une morale  
de la pensée - Jean Piaget

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/20080801/bace274c/attachment.htm