Can openMX simulate few layer graphene|
- Date: 2016/08/30 16:32
- Name: John Chen
- Dear OpenMX Developers,
There are some graphene examples in OpenMX NEGF examples.
(Lead-Chain.dat and NEGF-Graphene.dat)
Are these data one layer graphene? Because there are 3 layers in .bulk.xyz file.
Then, I increased the unit cell size to study distance between graphene layers, but the band structure doesn't change.
So maybe that not the right way.
Could someone give suggestion?