[DFTB-Plus-User] Modes visualization

Ben Hourahine benjamin.hourahine at strath.ac.uk
Sat Dec 15 11:40:35 CET 2012


Hello Oleg,

either xmakemol or jmol might be better for your case. The xyz file of
course must contain multiple structures (these are appended sequentially 
in the file).

regards

Ben

On 15/12/12 10:34, 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.
>
> Please guide me if you know how to do that.
>
>
> Sincerely,
> Oleg
>
>
> =======================================
> Dear Oleg B. Gadzhiev,
>
> In my knowledge, one program to visualize DFTB+ xyz files is VMD. It
> is a freeware software.
>
> Regards
> Mahesh Bhatt
> ________________________________________
> From: dftb-plus-user-bounces at dftb-plus.info
> [dftb-plus-user-bounces at dftb-plus.info] on behalf of Ol Ga
> [o.gaeurisco at gmail.com]
> Sent: Friday, December 14, 2012 5:58 PM
> To: dftb-plus-user at dftb-plus.info
> Subject: [DFTB-Plus-User] Modes visualization
>
> Dear DFTB+ Users and Developers,
>
> Which program is it possible to use for modes visualization?
> I checked several programs, but I didn't find compatibility with the
> DFTB+ xyz-files.
>
>
> Sincerely,
> Oleg B. Gadzhiev
> _______________________________________________
> DFTB-Plus-User mailing list
> DFTB-Plus-User at dftb-plus.info
> http://www.dftb-plus.info/mailman/listinfo/dftb-plus-user

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       Dr. B. Hourahine, SUPA, Department of Physics,
     University of Strathclyde, John Anderson Building,
             107 Rottenrow, Glasgow G4 0NG, UK.
     +44 141 548 2325, benjamin.hourahine at strath.ac.uk

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