Solution LAB3 graphene

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• Graphene has an honeycomb lattice and we can define the unit cell by considering an hexagonal lattice and two atoms per cell. The CC distance is 0.142nm

An input file can be set using an hexagonal bravais lattice as:

&system  
ibrav= 4, celldm(1) =4.6542890, celldm(3)=something appropriate, nat= 2, ntyp= 1, [...]  
/ 
ATOMIC_POSITIONS {crystal}  
C 0.0000000 0.0000000 0.000000  
C 0.3333333 0.6666666 0.000000