Laurence,

Vibrations generally come into Jmol via file reading. Several types of file
(xyz, GAMESS, Gaussian, Spartan, CAChe, etc.) support vibrational data. The
other way you can add vibrational data is via the script

{xxxxx}.vxyz = {vx vy vz}

Where {xxxxx} is some atom description. For example,

{atomno=3}.vxyz = {1/2 1/2 1/2}

would set a vibration up for that atom along the unit cell diagonal. In the
very latest version I have also implemented:

{within(-0.1, atomno=3)}.vxyz = {1/2 1/2 1/2}

this would do the same thing, but also add the vibration to any atoms
(precisely, in a P1 sense) equivalent to atomno=3 in all unit cells.

So "implemented" is what you make of it. If you have a way of defining
vibrations, Jmol can read it -- with a little scripting.

What exactly would you like to do?

Bob



On Wed, May 20, 2009 at 2:33 PM, Laurence Marks <l-ma...@northwestern.edu>wrote:

> Are vibrations implimented for crystalline structures (as against
> molecules)? If so, for which types. Thanks
>
> --
> Laurence Marks
> Department of Materials Science and Engineering
> MSE Rm 2036 Cook Hall
> 2220 N Campus Drive
> Northwestern University
> Evanston, IL 60208, USA
> Tel: (847) 491-3996 Fax: (847) 491-7820
> email: L-marks at northwestern dot edu
> Web: www.numis.northwestern.edu
> Chair, Commission on Electron Crystallography of IUCR
> www.numis.northwestern.edu/
> Electron crystallography is the branch of science that uses electron
> scattering to study the structure of matter.
>
>
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-- 
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
http://www.stolaf.edu/people/hansonr
phone: 507-786-3107


If nature does not answer first what we want,
it is better to take what answer we get.

-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
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