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- Thu Feb 25, 2010 7:55 pm
- Forum: Ground state
- Topic: [Solved] Supercell bands
- Replies: 1
- Views: 3284
[Solved] Supercell bands
I have a question concerning supercell bands vs bulk bands. I have a tetragonal cell (a,0,0),(0,a,0) (0,0,c) and the bulk band calculation yields the expected result for all k paths. I make a supercell that is double the volume of the conventional cell by rotating the cell using the new vectors (a*s...