How to do structural optimization
Posted: Wed Jun 18, 2014 2:58 pm
Hai
I would like to do optimization of atomic geometry of graphene supercell.
Can anyone please tell me what are the input variables that need to be used for this.
Any help in this regard is highly appreciated.
Regards
Seba
I would like to do optimization of atomic geometry of graphene supercell.
Can anyone please tell me what are the input variables that need to be used for this.
Any help in this regard is highly appreciated.
Regards
Seba