[Pw_forum] graphen with adatoms input
yelena
yelena at ipb.ac.rs
Fri May 31 00:26:13 CEST 2013
Yes, monolayer graphene with adatoms in center of lattice. like this:
http://www.nature.com/nphys/journal/v8/n2/images/nphys2181-f1.jpg
On 30 May 2013 20:08, Paolo Giannozzi wrote:
> 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.
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