[Pw_forum] Calculation of Gibbs free energies

[Paolo Giannozzi]

On Jul 10, 2012, at 16:44 , Torstein Fjermestad wrote:

> this is the input file of the phonon calculation:

this is the input file for a SINGLE phonon calculation. You need
to specify "disp=.true." and a wave-vector grid to get the phonon
dispersions needed to calculate interatomic force constants

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