[Pw_forum] calculation of lifetime due to anharmonic phonon–phonon interaction with QE software

[Sridhar Sadasivam]

QE does not directly calculate phonon lifetimes but it is possible to
calculate the third-order anharmonic force constants from which you can
derive lifetime. d3.x is the program that is used to calculate third-order
force constants.
Sridhar
Purdue University


On Tue, Jun 17, 2014 at 10:44 PM, JAONA RANDRIANALISOA <
jaona.randrianalisoa at univ-reims.fr> wrote:

> Dear All,
>
> I am new user of Quantum Espresso software and my research focus
> concerns mainly thermal properties of materials (more particularly
> silicon nanostructures).
>
> I would like to know if it is possible to calculate "the lifetime due to
> anharmonic phonon–phonon interaction" with
> arbitrary wavevectors with QE package v5.1.
>
> Best regards,
>
> Jaona Randriaalisoa, Assistant Professor
> Université de Reims Champagne-Ardenne
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20140618/3c45374b/attachment.html>