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. > > > ------------------------------------------------------------------------------ > Crystal Reports - New Free Runtime and 30 Day Trial > Check out the new simplified licensing option that enables > unlimited royalty-free distribution of the report engine > for externally facing server and web deployment. > http://p.sf.net/sfu/businessobjects > _______________________________________________ > Jmol-users mailing list > Jmol-users@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/jmol-users > -- 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
------------------------------------------------------------------------------ Register Now for Creativity and Technology (CaT), June 3rd, NYC. CaT is a gathering of tech-side developers & brand creativity professionals. Meet the minds behind Google Creative Lab, Visual Complexity, Processing, & iPhoneDevCamp asthey present alongside digital heavyweights like Barbarian Group, R/GA, & Big Spaceship. http://www.creativitycat.com
_______________________________________________ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users