[Pw_forum] Specific Heat

[Wilfredo Ibarra Hernandez]

Thanks I'm watching this now, looks very well

Then I'll run it, I will let you know if I have any question or comments.

And thanks for your disposition.


On 09/02/11 12:31, Eyvaz Isaev wrote:
> Hi,
>
> In addition to Nicola's reply, just have a look at QHA suite in QE 4.2.
>
> Any questions/comments, please contact me.
>
> Bests,
> Eyvaz.
>
>   -------------------------------------------------------------------
> Prof. Eyvaz Isaev,
> Department of Physics, Chemistry, and Biology (IFM), Linkoping University,
> Sweden
>
> Theoretical Physics Department, Moscow State Institute of Steel&  Alloys,
> Russia,
>
> isaev at ifm.liu.se, eyvaz_isaev at yahoo.com
>
>
>
> ----- Original Message ----
> From: Wilfredo Ibarra Hernandez<wibarrah at gmail.com>
> To: Nicola Marzari<nicola.marzari at materials.ox.ac.uk>
> Cc: PWSCF Forum<pw_forum at pwscf.org>
> Sent: Wed, February 9, 2011 5:24:49 PM
> Subject: Re: [Pw_forum] Specific Heat
>
> 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