[Wannier] bands structure of graphene
huanghq at phys.tsinghua.edu.cn
Sun May 13 05:20:58 CEST 2012
Recently，I want to calculate MLWF of graphene and I have got the sp2-like and
pz-like MLWF. However, I found that the band strucutre obtained using MLWF
interpolation doesn't agree well with the band structure obtained form first-
principles calculation (pwscf). What's worse, there is a gap near the fermi
level, which should be a Dirac cone.
I have tried different dis_win_max, dis_froz_max, but still can't solve the
problem. So could you give me some suggestions?
Group of Condensed Matter Theory
Department of Physics
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