i am using quantum espresso can u how to know the gibbs free energy for unstable phases by any means in the quasi harmonic approximation because i can not the phase transition with temperture and how can i add anaharmonic contribution to phonon spectrum -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110531/038070e6/attachment.htm
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