[Pw_forum] WDA and GW approximation method

[Nicola Marzari]

Dear Ichiro,


we had looked at gaps in semiconductors and in oxides with the
WDA a few years ago ( J. Phys. Chem. Solids 61 321 (2000),
and PRB 62 12724 (2000) ). It makes little difference, albeit
in the right direction.

For GW there is abundant literature, and it does work well.


				nicola



Ichiro Nagano wrote:
> Dear pwscf users,
> 
> I would like to try calculating band gap of semiconductors.
> How do you think about capability of Weighted Density Approximation (WDA)
>  and GW approximation method?
> 
> Thanks for any information,
> 
> Ichiro Nagano
> 
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Prof Nicola Marzari   Department of Materials Science and Engineering
13-5066   MIT   77 Massachusetts Avenue   Cambridge MA 02139-4307 USA
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