Hello, communitors
Actually, i asked band structure of monolayer graphene to you guys
I fixed space group as P6/MMM (hexagonal structure) and also generate the k-path value, which is widely used (gamma, K, M)
Gamma : 0.000 0.000 0.000/ K : -0.333 0.667 0.000/ M : 0.000 0.500 0.000
I calculated the monolayer graphene with GGA/PBE with DFT semi-core potential and 16X16X1 k-points. However, i still have a problem for the band gap.
The result from this calculation showed that the band gap for monolayer graphene is not zero. ( band gap = 0.100 Ha)
Therefore, i'm very confused how can i do that calculation for getting zero band gap
Does someone has great idea to solve this problem??
I really need you guys help
P.S I attached my supercell and brillouin zone files for graphene (my material studio version is 5.51)
