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) respectively.
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. -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20121010/9cd0c6eb/attachment.html