[Pw_forum] Gibbs Free energy

Filipe Camargo Dalmatti Alves Lima flima at if.usp.br
Fri Apr 4 14:11:25 CEST 2014

Dear Patrik,

Just a curious question: what is QHA?



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
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Filipe Camargo Dalmatti Alves Lima
PhD Student
University of São Paulo, Physics Institute, Materials Physics Department,
Nanomol Group, Brazil.
Phones:    (11) 3091-6881  (USP)
                (11) 97408-2755 (Vivo)
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