(1) https://nanohub.org/resources/8405
(2) https://www.ece.nus.edu.sg/stfpage/eleadj/pseudopotential.htm
Also, another great document about this topic can be found at
http://www.scientificpython.net/uploads/1/1/5/9/11598566/epm.pdf
To get the bandstructure start from schrodinger equation

And simplify the Hamiltonian to the following form

Two problem pop up here. How to represent reciprocal lattice vector G and potential V.
For reciprocal lattice vector G, please refer to REF(2).
For potential V, use empirical pseudopotential method and can simplify it to

The final result is not very accurate. Still need works on it.

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