[Pw_forum] Confusion about silicon phonon dispersion along K-X path

Nicola Marzari nicola.marzari at epfl.ch
Sat Jul 8 12:30:07 CEST 2017


On 08/07/2017 12:09, Suza W wrote:
> Hi Nicola,
> 
> Thanks for SeeK-path that is extremely helpful.

Well, I wasn't involved, but Giovanni Pizzi.

> Are you aware of any such code which also can provide us
> phonon symmetry labels such as R_4+, M_3+ and X_5-?
> 
> QE prints such labels but hardly matches with the labels available
> already in the literature.
> w_forum

I just don't know (there might be). For the discrepancy - if you
can elaborate more, it can go in the to do list.

				nicola



-- 
----------------------------------------------------------------------
Prof Nicola Marzari, Chair of Theory and Simulation of Materials, EPFL
Director, National Centre for Competence in Research NCCR MARVEL, EPFL
http://theossrv1.epfl.ch/Main/Contact http://nccr-marvel.ch/en/project



More information about the users mailing list