Problem in carrier ionized impurity scattering

[pkarna]

hello all,
I was trying to compute the drift and hall mobility of cubic boron nitride as given in the tutorial files. I could calculate the hole mobility and spectral decomposition. However as I was trying to calculate the carrier ionized impurity scattering, the calculation crashed which I suspect is the issue with the version of EPW that I am using. I am currently using EPW 7.1 for the calculation. The error message that I get is:

task # 0
from epw_readin : error # 1
Bad line in namelist &inputepw: " ii_g = .true." (error could be in the previous line)
I can post my input file for the calculation if required for the reference.
Thanks
Pravin Karna

[xiaozha]

Hi Pravin,

Please note that the version number of EPW is not the same as the version number of Quantum Espresso. When you say 7.1, it seems that you are referring to the version of QE, and indeed QE 7.1 does not have implementation of ionized impurity scattering. The ionized impurity scattering was added in EPW release v5.6. Please either download the proper version from the EPW website: https://docs.epw-code.org/doc/DownloadAndInstall.html, or use Quantum Espresso v7.2 instead of v7.1.

Thanks!
Best!
Xiao

[pkarna]

Hello Xiao,
Thank you for your response.

Best
Pravin Karna