[Pw_forum] Specific Heat

Wilfredo Ibarra Hernandez wibarrah at gmail.com
Wed Feb 9 17:24:49 CET 2011

Thanks you for your quick answer and sorry for than obvious  questions.

I'll looking better the next time before write.

Thanks again.

On 09/02/11 10:20, Nicola Marzari wrote:
> 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

Ibarra Hernández Wilfredo
Master student in Materials Science
Cinvestav Unidad Quéretaro
Quéretaro, México

More information about the users mailing list