[Pw_forum] Honeycomb structure

Gerardo Ballabio g.ballabio at cineca.it
Wed Apr 6 15:54:10 CEST 2005


On 04/06/05 15:45:36, Aritz Leonardo wrote:
> I am going nuts trying to define a honeycomb structure in pwscf.
> 
> Can anybody help me??

Honeycomb structure has a hexagonal cell (ibrav=4) with two atoms in  
it at Cartesian coordinates (alat units):
(0, sqrt(3)/6), (1/2, sqrt(3)/2).

Gerardo




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