problem in phonon calculation
Posted: Wed Oct 05, 2022 7:32 am
Thank you for taking the time to view the following.
When I fit the phonons with epw, the problem appears at the Gamma point as shown in the figure, I don't know the exact reason, even if I calculate the BN column in "school 2021" the same result appears. Any replies or suggestions would be helpful, thanks!
When I fit the phonons with epw, the problem appears at the Gamma point as shown in the figure, I don't know the exact reason, even if I calculate the BN column in "school 2021" the same result appears. Any replies or suggestions would be helpful, thanks!