Hi
Im working on electronic structure of monolayer material. I used GGA and MBJ approaches and the obtained gap is very small in comparaison with the experimental result. In the useeguide of wien2k , the authors note that MBJ increase the gap of 3D material and not the 2D one. Please can someone advices me which approach (included in wien2k code) allows to increase the gap of the monolayer ?? Thanks in advance Brik
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