I am a beginner of Gulp, just installed gulp6.0. I am researching in thermal transport, and need eigenvector.eig files generated by GULP for lammps calculation. I added
output eigenvectors eigenvectors.eig
in my script, but no output .eig file generated. How can I get it? I need your help.
Without seeing your input my guess is that you didn’t ask for a phonon calculation and so no eigenvectors were generated. If you add “phonon” to your keywords and make sure you specify the k points you want then the file should be generated.
Thanks for your rapid reply.
I just use this example for a trial:
and it shows in shell like this,
but no .eig file generated
Thanks for sharing your input. I can now see the issue which is that the command to output the eigenvectors should be:
output eig 17a.eig
This is because the parser looks for "eig " to distinguish it from a filename that a user may have provided on the same line. If you change this then your file should work.
I got the output .eig file now.
Thank you very much Julian！