[Pw_forum] Gibbs Free energy
paolo.giannozzi at uniud.it
Fri Apr 4 15:32:46 CEST 2014
On Fri, 2014-04-04 at 16:58 +0530, Saied Md Pratik wrote:
> 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?
it is the vibrational contribution to the Helmholtz free energy
> If so, Can anybody please tell me that how can I calculate Gibbs
> free energy?
"Even within physics, I see an important death. Thermodynamics,
essential to so much thinking in biology, is a dying language."
Harness the Hubris: Useful Things Physicists Could Do in Biology
V. Adrian Parsegian, Physics Today, June 1997
> Thanks in advance.
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Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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