Error in bandstructure of graphene as large bandgap

Seba Darshan · Post by **Seba Darshan** » Mon Jul 28, 2014 9:10 am

Hai

Now I am trying to obtain the bandstructure of a 2 by 2 graphene supercell.

I got the bandstructure in which the energy gap between the valence and conduction bands was found to be 3.41152 eV instead of the zero energy-bandgap

I am not sure of what is getting wrong in my input file.

I am also attaching the input file and the obtained bandstructure along with this.

Any help in this regard is highly appreciated.

Regards
Seba