[Wien] gap

Brik Hamida hmd.brik at gmail.com
Fri Nov 13 19:34:37 CET 2015


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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