Cannot generate movie.xyz

Vasp transition state theory tools

Moderator: moderators

Post Reply
vitas
Posts: 1
Joined: Wed Jul 16, 2014 6:42 am

Cannot generate movie.xyz

Post by vitas »

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.
graeme
Site Admin
Posts: 1999
Joined: Tue Apr 26, 2005 4:25 am
Contact:

Re: Cannot generate movie.xyz

Post by graeme »

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/
Post Reply