[Pw_forum] Honeycomb structure
Gerardo Ballabio
g.ballabio at cineca.it
Wed Apr 6 16:32:00 CEST 2005
On 04/06/05 16:25:23, Aritz Leonardo wrote:
> I wrote those coordinates from the beginning and before calculating
> anything I tried to visualize the structure with xcrysden. By some
> reason which I don't understand atoms do not appear in the same z
> plane .
You did write also the z coordinate in your input file, didn't you?
The positions section should be like this:
ATOMIC_POSITIONS alat
C 0.0 0.2886751346 0.0
C 0.5 0.5773502692 0.0
Gerardo
More information about the users
mailing list