Dear Patrik, Just a curious question: what is QHA?
Thanks, Filipe On Fri, Apr 4, 2014 at 8:28 AM, Saied Md Pratik <saiedchempratik at gmail.com>wrote: > 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 > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > -- _________________________________________ Filipe Camargo Dalmatti Alves Lima PhD Student University of S?o Paulo, Physics Institute, Materials Physics Department, Nanomol Group, Brazil. Phones: (11) 3091-6881 (USP) (11) 97408-2755 (Vivo) -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140404/e65f18b8/attachment.html
