On Dec 19, 2012, at 3:23 , Amin Torabi wrote: > To calculate the bandgap of a semiconductor with a direct gap > at gamma, would it be enough to do the band structure calculation > only at gamma point?
of course, but how do you know in advance that it has a direct gap at Gamma? P. --- Paolo Giannozzi, Dept of Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
