Example input
Ondrej Marsalek
ondrej.... at gmail.com
Fri Feb 27 19:00:57 UTC 2009
Dear CP2K users,
I am interested in the method described in this paper:
Thomas D. Kuhne and Matthias Krack and Fawzi R. Mohamed and Michele
Parrinello: Efficient and Accurate Car-Parrinello-like Approach to
Born-Oppenheimer Molecular Dynamics
http://link.aps.org/abstract/PRL/v98/e066401
Unfortunately, I have trouble mapping the paper to a working
computational setup and CP2K input. Would anyone be willing to provide
an example?
Thank you,
Ondrej Marsalek
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