My Community

Hi,

I am doing bandstructure for graphene supercell. Please guide me How to define k-path for the bandstructure calculation?

Thank you for any help.

u can refer any paper for hexagonal brillouin zone K-path it is simply G-M-K-G

Thank You sir for your response.

For any dopants or adsorption or edge modification of graphene, is this sufficient to use this k-path itself?