[Pw_forum] questions about vc-relax or geomtry optimization

Yuanliang Xie xylnew at gmail.com
Mon Aug 20 03:44:24 CEST 2007


Dear jideson,
  Please see this link ,
http://www.vlab.msi.umn.edu/events/download/VCS_tutorial.pdf

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 ?  
>    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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