gvib Online Notes

Basically, it uses eigenvector info stored in fort.22 file from Bob's vibs code, plus the cluster or cell structure from a xyz.structure input file, generating a xyz.movie output file with a movie-like oscilation sequence. At the top of the source file, one can set four constants: NDIM, AMP, NSTEPS and NCYCLES. These are the maximum number of eigenvectors, the amplitude of oscilation in Angstron, the number of steps in a 2*pi movie cycle, and the number of cycles in the all movie. The syntax is:

gvib xyz.file mode > xyz.movie

where mode is an integer index specifying the eigenvector to use (see also file fort.95). The file fort.22 from Bob's vibes code must be in the current directory.

email: coutinho@excc.ex.ac.uk
Homepage: http://newton.ex.ac.uk/people/coutinho/

José Pedro Coutinho

School of Physics
University of Exeter
Stocker Road
EX4 4QL
Exeter
United Kingdom