[Pw_forum] local and global minimums in relaxation

Paolo Giannozzi giannozz at democritos.it
Fri Jan 4 18:37:40 CET 2013

On Dec 27, 2012, at 17:44 , Mike Marchywka wrote:

> what is neglected by trying to find a static ground state and  
> ignoring any fluctuations?

vibrational entropy ...

Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222

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