[Pw_forum] imaginary dielectric tensor

[Paolo Giannozzi]

On Tue, 2014-05-13 at 16:37 +0800, H.Y Geoffrey Tse wrote:
> 
> The calculated bandgap for GGA-PBE is around 0.5-1.0eV so I would
> expect the threshold of the graph should be around that value.

your calculated bandgap is reprinted on output. It is much smaller 
than that.

P.


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