[QE-users] the 2D structure wrong wrong total_weight

[zhouchao]

Dear Developer,

I have calculated the phonon spectrum of a 2D material using a K-point of 20201 and q-point of 4 4 1. However, I encountered an error message "wrong total_weight" when processing q2r.x and matdyn.x. I have attached my input file for your reference. I have searched online tutorials and attempted to recompile wsweight.f90 by changing nx to 3, but it didn't work. Hence, I am seeking your assistance to resolve this issue.

Moreover, I would like to enquire if it is possible to apply van der Waals correction when calculating electron-phonon coupling for 2D materials. Will it affect the result? Thank you in advance for your kind assistance.

Best regards,
zhouchao
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