[Pw_forum] band gap of 'GaAs'

Bramha Pandey pandey.bramha at gmail.com
Wed Oct 10 10:15:03 CEST 2012

Dear Users and Developers
I am wondered to see the results obtained by the 'nscf' and by applying
hybrid functional in my system(GaAs.)
In  ZB 'GaAs', i can not find the minima of conduction and maxima of
valence at 'k' = 0 0 0.
i was found the maxima of valence is obtained at 'k'= 0 0 0 and minima of
conduction is obtained at 'k'= 0 0 0.9.
which is prinited in  highest occupied and lowest unoccupied level (ev)

Does this shows Indirect band gap of  ZB 'GaAs' if so i think it is not
correct (may be wrong)?

Dear All Please through some light on this problem. Any comment is heartily
appreciated .
Thanks and Regards
Bramha Prasad Pandey
Ph.D Student Indian School of Mines(ISM)
Dhanbad, INDIA.
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