[DFTB-Plus-User] Modes visualization

Bálint Aradi balint.aradi at bccms.uni-bremen.de
Mon Dec 17 11:51:07 CET 2012


On 12/15/2012 11:34 AM, Ol Ga wrote:
> Dear Mahesh Bhatt,
> 
> I have tried VMD. I see molecule. But I cannot visualize movements of
> atoms corresponding to vibrational modes. Maybe I don't do correctly
> all the procedure and a lot of options I see in VMD.
> 

 Modes are saved in the xyz-files as "movies". You can use any program
which is able to visualize such xyz files consisting of geometry
snapshots. VMD, JMOl, XMAKEMOL are examples for that. Look for animation
or frames in the given programs.

  Best regards,

  Bálint



-- 
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
http://www.bccms.uni-bremen.de/cms/people/b_aradi/


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