Re: [Wien] degeneracy problem in dipole matrix elements

2016-11-13 Thread Xavier Rocquefelte
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

[Wien] degeneracy problem in dipole matrix elements

2016-11-13 Thread Little Grass
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