[Pw_forum] bandgap calculation of insulators with direct gap

[Giuseppe Mattioli]

Always negligible experimental measurements (i.e., vox populi)? :-)
G.

On Wednesday 19 December 2012 10:59:58 Paolo Giannozzi wrote:
> 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
> 
> 
> 
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