Doubt on Energy of graphene sheet calculation
Posted: 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
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