Dear Wien2k users;
I calculated the gap of a material whose experimental value is unknown.
With GGA+U, mBJ potential and GW, I found that this material is semimetal
(a slight band overlap) but with HF i found it to be semiconductor of very
How can I know what is the real nature of the gap of this material?
This calculation is a part of a future paper so I have to put all found
results (GGA + U, mBJ, GW and HF) in spite of what give deferent nature or
I have to adopt that of the HF since it is a more accurate method?
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