[Pw_forum] bandgap calculation of insulators with direct gap

[Paolo Giannozzi]

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.
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Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222