mBJ-U Calculation
Band gaps from the Tran-Blaha modified Becke-Johnson approach: A systematic investigation
Abstract: The semi-local Becke-Johnson (BJ) exchange-correlation potential and its modified form proposed by Tran and Blaha (TB-mBJ) have at…
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mBJ-U Calculation
Another Procedure to calculate the Band Structure using the mbj+U+SO method
This is another procedure used by our colleague George Yumnam to calculate the band structure using the mBJ+U+SO method: init_lapw (with …
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Wien mailing list
The utility of the mBJ+U method ( From wien mailinglist )
Discussion: mBJ + U ？ (too old to reply) wanxiang feng 6 years ago Permalink Raw Message Dear Tran and Blaha, …
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Tutorials
How to apply the method mBJ+U for the example of NiO
PROCEDURE : Calculation of electronic ang magnetic properties of NiO using ************** methods: PBE, mBJ, mbj+U Input file s: *********…
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Wien mailing list
To know the utility of the method " mbj+U" read the reply of Dr Peter Blaha
Re: [Wien] Regarding mBJ plus U Peter Blaha Tue, 08 Mar 2016 21:29:03 -0800 mBJ works very well for bandgaps of s,p and even …
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My name is Dr Abderrahmane Reggad. I'm a 54 year old and I am a researcher in materials' sciences.
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