[WIEN] Bandstructure calculation
Yam Chi Yung
yamcy at yangtze.hku.hk
Fri Dec 12 13:22:00 CET 2003
Dear all,
I have two bandstructure calculations of the same system. The first one I
use the normal unit cell and for the second calculation, I duplicate the
unit cell three times along the z-direction, so the new unit cell has
three times number of atoms and three times volume as the original one.
However, the resulting bandstructure is completely different. Is there
anything wrong in the calculations?
Thank you in advance!
Best regards,
ChiYung, Yam
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