[Wien] Question about mBJ+eece

Kyohn Ahn kyohn1004 at gmail.com
Fri Sep 30 13:57:44 CEST 2016


Dear prof. Peter Blaha

Yes. What I encountered is the gap problem :)

In my case only mBJ+SO+EECE reproduced the metal to insulator transition,
while the other methods failed.
However the energy gap is pretty large, against my expectation.
That's why I suspect an overestimation of the correlation effects.

I appreciate your useful advice,
and will try [mBJ+SO+EECE]→[mBJ+SO].

Have a happy weekend.!♧

- Kyohoon
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