[Pw_forum] vectors for post processing calculation for hexagonal structure

pari shok parishok at gmail.com
Fri Feb 25 17:58:22 CET 2011


Hello,
I was wondering how I could possibly get the STM (or other post processing
calculations) on the surface of a hexagonal structure.
If I define the vectors as:
e1(1):1 e1(2):0 and e1(3):0
e2(1):0 e2(2):1 and e2(3):0
and the origin as:
x0(1):0 x0(2):0 x0(3):the slab length (say 20 Angstroms),
will it cover the *entire surface* of the hexagonal structure?
I appreciate your help.
P Shok
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