[Pw_forum] Specific Heat

[Nicola Marzari]

On 2/9/11 4:15 PM, Wilfredo Ibarra Hernandez wrote:
> Dear all pwscf users
>
> I'm new in QE package. I want to ask if it is possible calculate a
> specific heat whit QE?
>
> I looking in the Manual and in the examples and I can't found anything
> about this property.
>


Dear Wilfredo,


if you google specific heat quantum espresso , you get everything
you could possibly want, including QHA in the QE-Forge, and
http://www.fisica.uniud.it/~giannozz/Papers/QHA.pdf


			nicola


----------------------------------------------------------------------
Prof Nicola Marzari    Department of Materials    University of Oxford
Chair of Materials Modelling  Director, Materials Modelling Laboratory
nicola.marzari at materials.ox.ac.uk     http://mml.materials.ox.ac.uk/NM