[Pw_forum] questions about vc-relax or geomtry optimization

Yuanliang Xie xylnew at gmail.com
Mon Aug 20 03:40:06 CEST 2007


Dear jideson,
在 2007-08-20一的 09:25 +0800,jideson写道:
> Dear experts,
>      I read some  emails about vc-relax in this list, but  still have
> some questions.  It seems that  geometry optimization (both cell and
> atomic postions) in pwscf is a diffcult job than other softwares such as
> CASTEP.  Can you give me a step-by-step tutorial ?  

Sorry. You must do_it_yourself. Because this is a GNU open source
code. :)

>    By the way , another question , are there differences between cp.x
> and cpmd(www.cpmd.org) code ?  Thanks!  


>  
> 
>  
> 
> Best regards
> 
> Jideson
> 
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-- 
Yuanliang Xie <xylnew at gmail.com>




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