[Pw_forum] how to find out the stable structure under high pressure

Nicola Marzari marzari at MIT.EDU
Wed Jun 14 05:01:39 CEST 2006



li yan wrote:
> Dear all,
>        I found soft modes in a system under pressure. Is it true that 
> there must be a global energy miniumu in the subspace spanned by the 
> eignevectors of the soft modes?  And by searching this munimum, can i 
> find the stable high-pressure strucure?  
> best regards
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Prof Nicola Marzari   Department of Materials Science and Engineering
13-5066   MIT   77 Massachusetts Avenue   Cambridge MA 02139-4307 USA
tel 617.4522758 fax 2586534 marzari at mit.edu http://quasiamore.mit.edu

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