[Pw_forum] honeycomb

[Aritz Leonardo]

El mié, 30-11-2005 a las 17:52 +0100, Paolo Giannozzi escribió:
> On Wednesday 30 November 2005 17:38, Aritz Leonardo wrote:
> 
> > I have drawn in xcrysden one monolayer and does not look good at all.
> 
> ibrav=4, celldm(1)=a (in atomic units), celldm(3)=c/a, nat=4, ntyp=1
> 
> ATOMIC_POSITIONS (alat)
> C    0.0   0.000000000   0.0
> C    0.0   0.577350270   0.0
I think that this line should be changed
> C    0.0   0.000000000   c/(2a) by--> C  0.0  0.577350270 c/(2a)
> C    0.5   0.288675135   c/(2a)
> 
> P.