[Wien] Concerns on the obtained values of momentum matrix elements

[Yong Woo Kim]

Dear Prof. P. Blaha

Thank you very much for your reply. I understood about the change of sign
relating to the phase change.

About the abrupt change, I have checked my band structure and yes there
were indeed places where the bands cross each other. The abrupt change
occurs quite a lot near the Gamma point, where I cannot see a clear 'cross
over' but the valence bands are located very close to each other within
about 0.003 eV. Would this also affect the results?

Also then if the cross over is causing this change, can the results that I
have obtained be thought of as 'correct'? Or is there something that I need
to do in order to deal with the cross over?

Thank you once again for your kind reply.

Yong Woo Kim
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