[Pw_forum] (no subject)

Stefano Baroni baroni at sissa.it
Fri Aug 1 09:21:36 CEST 2008

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  


> Thank you.
> M.aghtar
> Msc student, physics department of Kashan university
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Stefano Baroni - SISSA  &  DEMOCRITOS National Simulation Center -  
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

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