problem in phonon calculation

General discussion around the EPW software

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Joined: Wed Oct 05, 2022 7:26 am
Affiliation: condensed matter physics

problem in phonon calculation

Post by HsiaYan »

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!Image
未命名图片.png (65.23 KiB) Viewed 4829 times

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