Search found 2 matches

by Hust_wty
Mon Oct 27, 2025 8:51 am
Forum: General discussion
Topic: Unexpected phonon frequency shift at Γ when including Quadrupole correction in EPW
Replies: 3
Views: 5514

Re: Unexpected phonon frequency shift at Γ when including Quadrupole correction in EPW

Hello, Correct me if I am wrong, but it seems that the issue is related with the interpolated phonon frequencies, and not with the phonon self-energy calculation. Did you run the quadrupole EPW calculation as the initial calculation, with flags: epwwrite = .true. wannierize = .true. or did you run ...
by Hust_wty
Mon Oct 06, 2025 5:31 am
Forum: General discussion
Topic: Unexpected phonon frequency shift at Γ when including Quadrupole correction in EPW
Replies: 3
Views: 5514

Unexpected phonon frequency shift at Γ when including Quadrupole correction in EPW

I am currently performing electron–phonon interaction calculations for wurtzite GaN using EPW, and I have encountered an issue related to the Quadrupole correction in the phonon self-energy calculation. As shown in Figure 1 1.png , when the Quadrupole term is not included, the phonon self-energy cal ...