[Wien] IBZ Problem
Chiung-Yuan Lin
cylinwn at gmail.com
Wed Apr 4 02:50:04 CEST 2007
Dear all,
I am calculating a 2D hexagonal lattice, and generate a klist (using
kgen) as follows:
1 0 0 0 14 1.0 -7.0 1.5 400 k, div: ( 14 14 1)
2 0 1 0 14 6.0
3 0 2 0 14 6.0
4 0 3 0 14 6.0
5 0 4 0 14 6.0
6 0 5 0 14 6.0
7 0 6 0 14 6.0
8 0 7 0 14 3.0
9 1 1 0 14 6.0
10 1 2 0 14 12.0
11 1 3 0 14 12.0
12 1 4 0 14 12.0
13 1 5 0 14 12.0
14 1 6 0 14 12.0
15 2 2 0 14 6.0
16 2 3 0 14 12.0
17 2 4 0 14 12.0
18 2 5 0 14 12.0
19 2 6 0 14 6.0
20 3 3 0 14 6.0
21 3 4 0 14 12.0
22 3 5 0 14 12.0
23 4 4 0 14 6.0
24 4 5 0 14 6.0
END
I plot the those k points (blue), as well as the reciprocal lattice
points (green) and the 1st Brillouin zone corners (red) in the
attached file ibz.jpg. The area formed by the klist k points (blue)
doesn't look like the IBZ at all. For example, some points seem to be
related by reflection symmetry. can someone point out what's wrong
with it? Or do I have a wrong idea about IBZ?
Thanks,
Chiung-Yuan
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