[Wien] mbj probem gap
Amine Slassi
a.slassi at yahoo.fr
Fri Sep 13 10:19:23 CEST 2013
Hi,
I tried using mbj , I have running the calculation of materials pure ( supercell 2*2*2) I found that the gap is Eg = 3 eV, and as I made doping of this materails the gap is become Eg = -99.99 eV ( metalic) , (note that with only GGA I don't found this problem. just with MBJ)
Cordially
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