[Pw_forum] number of bands and degenerate states in supercell
pari shok
parishok at gmail.com
Fri Mar 11 19:37:02 CET 2011
Hello,
I have a question and I appreciate your help in advance.
I am making a supercell by repeating a unit cell of SiC. Then, instead of 8
atom in a hexagonal structure, there are 72 atoms in a supercell.
My question is about the number of bands.
Theoretically, the number of bands would be just the same for the unit cell
(32 in this case) and even if you increase them in the input file, they
should just have degeneracy and overlap. However, they are not.
I was wondering how I can interpret the bands.
Yours
P Shok
UMD
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