Hi All After running QHA (implemented in Quantum espresso) I have got E_internal,F_vibration, Specific heat (C_v), Entropy etc. Does F_vibration correspond to Helmholtz free energy? If so, Can anybody please tell me that how can I calculate Gibbs free energy? Thanks in advance. Pratik -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140404/409853dc/attachment.html
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