[QE-users] Complex band structure output files

ahmed benyahia ahmed.sanchou at gmail.com
Tue Mar 22 15:40:22 CET 2022


Hello dears, I'm performing PWcond calculations on a tetragonal unit cell
of ScN. I obtain 5 output files, like ScN.re, ScN.im, ScN.co_re, ScN.co_im
and ScN.3d. I want to plot the complex band structure and therefore my
questions are as follows:
1/ what represent files .co_re, .co_im and .3d?
2/ which files that are supposed to be plotted?
I'm confused because I don't obtain the same results as in the literature.
In addition, how it's supposed to adjust the following parameters?
- energy0,
- denergy,
- ewind,
- epsproj,
- nenergy,
Thank you for your assistance,
Mr. Ahmed BENYAHIA
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