Dear Users Suppose, we have constructed a metallic surface and a vacuum slab with some thickness.
Normally, these super-cells have no symmetry. My main question is that how we should choose the k-point? Only in the surface or we can choose some points in the inner layers or even vacuum near to the surface? PS: I have calculated band structure for the plane parallel to the surface but in the middle point of the vacuum (far from the surface). I expected that I didn't get any band graphs; however, I got some. Can anybody tell me why? Regards David Foster Ph.D. Student of Chemistry
