[Pw_forum] ´ð¸´: [Pw_forum] why I can not get the correct band gap of TiO2?

[Eyvaz Isaev]

> However, why in the
> valance band , there has a huge gap?( see the values
> -48.0314 and -24.6221) ,

These are Ti semicore states.

Bests,
Eyvaz.


 


		
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