[ase-users] vibrational modes Vasp
Alexandra C. Davila Lopez
davila at theo-physik.uni-kiel.de
Mon Mar 19 15:06:53 CET 2018
Hi ase-users,
I have a question regarding vibrational frequencies, I did the
calculation with Vasp using finite differences. And I would like to read
the output with ase, I set the calculator and tried to assert that the
calculation is already converged ... but it didnt work.
How should I do it correctly?
--
A. Dávila
AG. Pehlke
Institut für Theoretische Physik und Astrophysik
Christian-Albrechts-Universität zu Kiel
Leibnizstr. 15
24118 Kiel
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://listserv.fysik.dtu.dk/pipermail/ase-users/attachments/20180319/95bdef8a/attachment.html>
More information about the ase-users
mailing list