[Pw_forum] Free energy w.r.t. T and QHA

[Stefano Baroni]

On Jan 18, 2007, at 1:11 PM, W. YU wrote:

> Dear Stefano and all,
>
> I am sorry that I couldn't make my question clear.
>
> Maybe someone who trys to read the small code called
> 'fqha' in the pwtools directory would know what I am
> trying to elaborate.

maybe someone who tries to read a textbook on the QHA (Landau and  
Lifchitz's Statistical Physics could be an excellent choice) would  
know how the QHA works ...

> I have no idea who wrote it but I think it does a
> similar work (that is, given a single phonon dos,
> calculate F at different T). The author must have some
> reasons in mind for doing this!

sure, he/she does!

Stefano Baroni

---
Stefano Baroni - SISSA  &  DEMOCRITOS National Simulation Center -  
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