[Pw_forum] About the md in pwscf.

[Stefano Baroni]

On Jul 1, 2011, at 1:14 PM, Hongsheng Zhao wrote:

> Hi all,
> 
> I've some puzzles on the md method fulfilled in pwscf.
> 
> I know should be cp-based md within the pwscf.  

NO pw.x performs Born-Oppenheimer MD. CP MD is performed by cp.x

> The issue of mine is: 
> for which properties/systems should I consider to do a md relative 
> calations using pwscf (md, vc-md)?  Thank your for any  hints.

Not sure I understand the question.

SB

> Best
> -- 
> Hongsheng Zhao <zhaohscas at yahoo.com.cn>
> School of Physics and Electrical Information Science,
> Ningxia University, Yinchuan 750021, China
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---
Stefano Baroni - SISSA  &  DEMOCRITOS National Simulation Center - Trieste
http://stefano.baroni.me [+39] 040 3787 406 (tel) -528 (fax) / stefanobaroni (skype)

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