how to calculate bandstructure of supercell
Posted: Mon Mar 17, 2008 7:45 pm
Now I am trying to calculate the bandstructure of a 12x12 super cell. If I use the special K point, for example, Gamma(0,0,0) to K(1/3,1/3,0), then I will get a very complex bandstructrue, because of the folding.
How can I get a bandstructure similar to 1x1 unit cell, a bandstructure without folding?
Thanks a lot.
How can I get a bandstructure similar to 1x1 unit cell, a bandstructure without folding?
Thanks a lot.