[Wien] Question about mBJ+eece

[Peter Blaha]

When you have a converged mBJ+EECE+SO calculation and you continue with 
this density a mBJ+SO only calculation, do you loose the gap ? Sometimes 
also with mBJ several solutions are possible and one has to start with 
the correct one (FeO, CoO) to get an insulator.

Am 30.09.2016 um 10:57 schrieb Kyohn Ahn:
> Dear prof. Peter Blaha
>
> Unfortunately, my case is a 5d system ...
>
> I should consider my results carefully
> and try other methods.
>
> Thank you very much for your advice.
> It is really helpful for me :)
>
> - Kyohoon
>
>
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-- 
Peter Blaha
Inst.Materials Chemistry
TU Vienna
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A-1060 Vienna
Austria
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