errors in the modeling of scattering rates for h-BN material
Posted: Tue Jan 09, 2024 7:16 pm
Good afternoon,
I'd like to ask a question related to the appearance of errors and stopping of the modeling process during the determination of scattering rates for h-BN material. I have used QE v.7.2 and EPW v.5.8. The files BN.epw.in and BN.epw.out, as well as the computer output file, are shown in the appendix. I have tried changing the files with pseudopotentials, grid sizes, and some other parameters, but this has not yielded any positive results. Could you please let me know what is the cause of the errors and how to change the input data to get positive results for h-BN material.
With respect,
Mishchenka Valery,
PhD, BSUIR
I'd like to ask a question related to the appearance of errors and stopping of the modeling process during the determination of scattering rates for h-BN material. I have used QE v.7.2 and EPW v.5.8. The files BN.epw.in and BN.epw.out, as well as the computer output file, are shown in the appendix. I have tried changing the files with pseudopotentials, grid sizes, and some other parameters, but this has not yielded any positive results. Could you please let me know what is the cause of the errors and how to change the input data to get positive results for h-BN material.
With respect,
Mishchenka Valery,
PhD, BSUIR