[Pw_forum] visualizing results of molecular dynamics using XCRYSDEN

[Tone Kokalj]

On Sat, 2012-04-14 at 20:28 +0100, Elie M wrote:
> Dear all,
> 
> 
> I am testing the molecular dynamics package on monolayer graphene: the
> molecular dynamics I am doing is simply "calculation= 'md', using
> pw.x; Is there a way to visualize the output using XCrySDEN or is this
> option only for  calculation='cp'?

You can visualize structures from the pw.x output file as:

xcrysden --pwo filename

(if the number of structures in the output file ss huge than consider
using the "lighting off" mode (click the corresponding radiobutton on
the right toolbox)

Regards,
-- 
Anton Kokalj
J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia 
(tel: +386-1-477-3523 // fax:+386-1-477-3822)

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