[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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