Is there anything wrong with my band structure calculation?

[lknife]

Dear all,

Attached are the band structure of a 1-dimension WTe2 nanoribbon together with its .py script. Who can tell me if there is something wrong with the calculation? It’s totally different with other band structure figures so that I hardly have any idea how to analyze it.

Thanks very much for anybody who would like to help me!

[lknife]

Maybe I have got the answer: it may result from the inappropriate Brillouin zone route. For 1D nanoribbon, one should select route from "G" to "Z"  for band structure calculation.

Did I get the right idea about it?

[Anders Blom]

That is correct. You only have dispersion in the periodic direction.

[lknife]

Thank you for your kind reply!