[Pw_forum] band gap of 'GaAs'
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
Thanks and Regards
Bramha Prasad Pandey
Ph.D Student Indian School of Mines(ISM)
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