Page 1 of 1

simulation of surface with a given kspacing

Posted: Thu Dec 26, 2013 3:00 pm
by shyam
Dear sir,
I need the solution how can I simulate a surface extended in 'b' and 'c' lattice directions with kspacing 0.12.
I know the method for a solid as we can use kspacing tag with that. But In case of surface how can I use that tag as there should be no sampling of kspace in the 'a'-direction.
Please help.

simulation of surface with a given kspacing

Posted: Wed Jan 15, 2014 12:39 pm
by admin
please read some basic textbooks about solid state physics and consider yourself whether it makes sense to use more that 1 k-point along the direction corresponding to the surface normal
[ Edited Wed Jan 15 2014, 12:40PM ]