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@chaudry1232 жыл бұрын
If you need to bring orbitals into account while making band structure, then what is BZ good for?
@terminate5888 Жыл бұрын
Because this band structure will describe (by symmetry) the entire crystal. This is because you can replicate out the BZ to reproduce the entire reciprocal lattice (in this case used to showcase the different K values). This means you don't have to calculated the electron states of the entire crystal (which with an order of 10^22 atoms this becomes computationally very challenging) but only that of a very small region (that of only a few atoms).