[QE-users] CNT band structure

[Kazume NISHIDATE]

> The bands are just plain straight lines in the Gamma-X direction.

It means that the calculation was correct. You took large enough
vacuum region in that direction to simulate an isolated CNT.

If there is no periodicity, the 'bands' become to be flat as in the
case of isolated molecule.



best regards
kazume NISHIDATE
敬具　西館数芽

nisidate at iwate-u.ac.jp
kazume.nishidate at gmail.com