UT theoretical chemistry code forum

Dear Prof. Graeme and others,

It didn't generate movie.xyz after the running of nebmovie.pl, while it generated the file 'movie' and 'movie.vasp'. How can I get the 'movie.xyz' ?

does the file 'movie' or 'movie.vasp' also works? If so, how it can be visulized and I can watch the animation?

Thank you very much.

We have disabled the movie.xyz output, primarily because the xyz format does not contain the box information. To enable it, you can edit the top of the script by change the line:

$xyzflag = 0; # turn off xyz writing, by default
to
$xyzflag = 1;

You can also visualize the movie file (concatenated POSCAR file) in VMD, maybe jmol, the viewer in ASE, or our xyz view in the TSASE package: http://theory.cm.utexas.edu/tsase/