band structure of graphene supercell

Total energy, geometry optimization, DFT+U, spin....

Moderator: bguster

Locked
Seba Darshan
Posts: 63
Joined: Mon Feb 17, 2014 5:19 am

band structure of graphene supercell

Post by Seba Darshan » Fri Jul 25, 2014 8:45 pm

Hai
I am trying to obtain the band structure of a 2 by 2 graphene supercell.

How can I make sure that the obtained band structure is correct?

Can anyone help me in this regard.

Regards
Seba
Top
Locked

Return to “Ground state”