Dear Mengxi Wu
If I clearly understand you, you are considering the GAMMA point where
the bands are degenerate.
At the GAMMA point these bands have the same symmetry to my point of
view, explaining why the dipole matrix is non-zero. Thus your result is
expected to my point of view.
Best
Dear WIEN2k users,
I'm trying to study the dipole matrix elements of MgO at Gamma point, but
the dipole matrix elements between the degenerated bands seem to have been
mixed together. Are there any ways to sort out the degeneracy, so that the
dipole matrix elements are non-zero only for bands
2 matches
Mail list logo