algorithm in minima hopping
sungen... at gmail.com
sungen... at gmail.com
Thu Jan 15 00:54:35 UTC 2015
Hi, everyone,
I read the original paper of Geodecker
<http://scitation.aip.org/content/contributor/AU0441701;jsessionid=2htobk47fj7cp.x-aip-live-03>and
the document of cp2k. But I still have questions about
the minima hopping method in cp2k.
1) What's the algorithm, implemented in cp2k, for the minima hopping
method to find the same structure ?
2) Does this algorithm considered the translation of structures which is
needed in slab calculations ?
Does anyone could give me any suggestions?
Thanks!
Geng Sun
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