I have the same question for complex band structure.
In the example of complex band structure calculation of Si. You choose the surface with (1,0,0) so that the reciprocal lattice vector kc is along X direction.
Here, you said that we need to cleave the MoS2 unit cell such that the reciprocal point K (1/3, 2/3, 0) is perpendicular to the AB-plane.
In this case, how should we cleave the MoS2? I tried to use miller indices (1,2,3) (1,2,0) to get the surface.
But it does not work.
Could you please give more detail?
Thanks.