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 > Universit? 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://pwscf.org/pipermail/pw_forum/attachments/20140618/3c45374b/attachment.html
