Cannot generate

Vasp transition state theory tools

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Cannot generate

Post by vitas »

Dear Prof. Graeme and others,

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

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.
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Re: Cannot generate

Post by graeme »

We have disabled the 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
$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:
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