I thought your material has a gap, and the question was only direct or
indirect .. ??
Of course, a supercell MUST not change the optical property. The
momentum matrix elements should take care that there is no transition
from Gamma - "backfolded-X" point.
Am 12.07.2013 22:25, schrieb venkate
You are absolutely correct, also the magnetic field breaks periodic
symmetry. In addition, it is even much MORE complicated than an electric
field, because it is gauge-dependent, (origin)
The magnetic field acts an both, the spins (via Vxc up/dn, and this is
included correctly), and on th
Dear sir,
*I thought your material has a gap, and the question was only direct
or indirect
.. ??*
If i did the calculations using the structure stimulated from the space
group (225), it shows a negative indirect band gap in the band structure
(negative indirect band gap means, the valance band ma
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