errors in the modeling of scattering rates for h-BN material

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mishchenka
Posts: 46
Joined: Wed Apr 07, 2021 8:38 pm
Affiliation: Ass

errors in the modeling of scattering rates for h-BN material

Post by mishchenka »

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
Attachments
Output09012024.zip
(1.04 KiB) Downloaded 1121 times
BN.epw.out.zip
(8.68 KiB) Downloaded 1150 times
BN.epw.in.zip
(981 Bytes) Downloaded 1165 times
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