[Pw_forum] Is there any way to perform phonon calculation depending on temperature?

[Bahadır salmankurt]

Dear Lorenzo,

Thank you for valuable informations.

regards

2015-09-20 14:31 GMT+03:00 Lorenzo Paulatto <lorenzo.paulatto at impmc.upmc.fr>
:

> Dear Bahadir,
> in first approximation, phonon dispersion does not depend on the
> temperature,
> only its occupation does. QHA means assuming that the phonon dispersion
> depends on the temperature only via the lattice expansion, if this
> approximation is acceptable  for you, you can use QHA.
>
> kind regards
>
> On Sunday, September 20, 2015 01:35:10 PM Bahadır salmankurt wrote:
> > Dear All
> >
> > Is there any way to perform phonon calculation (Phonon  dispersion and
> DOS)
> > depending on temperature? Is it possible to make it with QHA? If so, How
> > Can I calculate ?
> >
> > Thanks
> > Best Regards
>
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum




-- 

Bahadır SALMANKURT
Sakarya University, TURKEY
Ph.D. student of Physics
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20150920/72341812/attachment.html>