[Pw_forum] graphen with adatoms input

[Paolo Giannozzi]

On Thu, 2013-05-30 at 16:39 +0200, yelena wrote:

> ATOMIC_POSITIONS crystal
>   C 0.000000  0.000000 0.000000
>   C 0.333333  -0.33333 0.000000
> Li 0.666666  0.333333 0.000000

all these atoms are in the same plane (xy). Is this what you want?

P.
-- 
Paolo Giannozzi, Dept. Chemistry&Physics&Environment, 
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222