Hi QE experts,
For my project I will need momentum matrix elements between valence and
high-lying conduction bands. For MgO, using bands.x, I was able to
calculate the momentum matrix elements p_mn. The problem is that the
magnitude |p_mn| between a valence band and a high-lying conduction band
(e.g. the 50th conduction band), is of the same order of magnitude as
|p_mn| for lower conduction bands. I was wondering whether this is
physical? Or are the high-lying conduction bands calculated with bad
numerical accuracy such that p_mn is not sensible to calculate?
Best regards,
Lun Yue
Lousiana State University
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