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quanshengwu / wannier_tools

WannierTools: An open-source software package for novel topological materials. Full documentation:
http://www.wanniertools.org
GNU General Public License v3.0
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Definition of surfdos_l and surfdos_r ? #152

Open high-velocity-rotating-pigeon opened 5 months ago

high-velocity-rotating-pigeon commented 5 months ago 
          Yes, exactly. Some times the atoms on these two dual surface are different.

You have to keep in mind that we consider the unit cell as one atom. It means WannierTools don't cut the atoms on the surface exactly the same as experiment. So you can find the atoms on the outer surface if you put the unit cell on the lattice you cut.

_Originally posted by @quanshengwu in https://github.com/quanshengwu/wannier_tools/issues/7#issuecomment-258465769_

high-velocity-rotating-pigeon commented 5 months ago

Dear Mr. Wu Hello. I am also confused by the definition of left and right surface DOS. Where should I refer to? I used to refer to POSCAR_slab for configuration of the edges, but I found when I try to cut a armchair edge of honeycomb lattice, though the two edges are identical, as given by POSCAR_slab, the surface_l and surface_r are still quite different.