[xcrysden] Visualizing phonon eigendisplacements

tone tone.kokalj at ijs.si
Mon Nov 15 17:55:07 CET 2010


On Wed, 2010-11-10 at 10:14 +0100, Igor Lukacevic wrote:
> Dear users,
> 
> I would like to visualize phonon eigendisplacements calculated with
> ABINIT. Is it possible to do that?

You can visualize phonon displacement patterns by arrows (forces).
In doing that you pretend your "phonons" are forces and construct an
appropriate XSF file ( http://www.xcrysden.org/doc/XSF.html#__toc__5 ).
Then visualize them via Display->Foces menu.

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

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