[Pw_forum] Specific Heat

[Wilfredo Ibarra Hernandez]

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