[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
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