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