Doubt on Energy of graphene sheet calculation

Seba Darshan · Post by **Seba Darshan** » Tue Aug 25, 2015 5:46 am

Dear Abinit Users

I wish to clarify my doubt on whether energy of graphene sheet corresponds to the total energy (Etot) getting after running Abinit simulations or since graphene is a 2-dimenional material, whether the energy of graphene sheet corresponds to surface energy that I need to calculate as the difference between the energy of bulk graphene and surface.

Please guide me in this issue.

Regards
Seba