[Pw_forum] Specific Heat

Nicola Marzari nicola.marzari at materials.ox.ac.uk
Wed Feb 9 17:20:15 CET 2011

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


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

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