You can provide links with calculation and clear examples of the methods used. I would also like to understand how to take into account a specific potential. How to determine the forbidden zone for this case. And other useful things in determining the zone structure for this case.
Thank!
You need know the BZ point for band structure calculation. First you need to chose which code do you want to use for this. If you use pwscf or vasp, there are available tutorials on their respective website.First you need perform scf calculation using uniform k-point. Then perform nscf calculation using the correct BZ point. Note this is similar calculation to bulk except BZ point and optimization.
Dear Anton Matasov
Article Traveling wave solutions of lattice difierential equations t...
Article Spin Hall conductivity on the anisotropic triangular lattice
These papers may help you to understand the 2D-triangular lattice. Then it would help if you chose the lattice-constant & coordinates of your BZ. Now with these coordinates; you can use any DFT software. For example, by using Quantum Espresso, you will get the electronic properties like band structure, DOS (band-gap), and optical properties.
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