Error in bandstructure of graphene as large bandgap
Posted: 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
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