[Pw_forum] Is it possible to calculate free energy of graphite at specified temperature?

[Paolo Giannozzi]

On Oct 10, 2011, at 20:11 , Éric Germaneau wrote:

> Also usually people  use a  supercell to compute phonon.

people using linear response do not need any supercell

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