[Wien] k-point sampling
L. D. Marks
L-marks at northwestern.edu
Tue Jun 29 17:11:06 CEST 2004
The reason I originally asked is because the k-points in CXZ (the
infamous, buggy one) look odd. Following a hint from Peter it looks like
it's the primitive cell being used. In this case the sampling being used
is (for a surface with a shift, 35 total):
1 2 5 0 10 2.0
2 4 5 2 10 4.0
3 6 5 4 10 4.0
4 8 5 6 10 4.0
5 10 5 8 10 2.0
6 6 5 0 10 2.0
7 8 5 2 10 4.0
8 10 5 4 10 2.0
9 10 5 0 10 1.0
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