[QE-users] one question about the matrix element calculation
Yu, Jingjing
jy95vowa at studserv.uni-leipzig.de
Sun Sep 17 19:01:05 CEST 2023
Dear QE community members,
I am a beginner to do the DFT calculation. I have one question regarding
to extracting matrix elements of the momentum operator between the
valence and conduction bands wrriten in the file of "p_avg.dat".
I am wondering if the corresponding matrix elements along the x, y, z
directions should be that same if the crystal structure of material is
cubic (isotropic)?
Thanks a lot!
Best regards,
Jingjing Yu
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