[Wien] hcp.klist

[dongwen zhang]

Shen Li Qiu <qiu at fau.edu> wrote:Dear All,
The hcp.klist in SRC_templates gives the klist from Sigma to M to K as
follows.

SIGMA 10 0 0 40 2.0
11 0 0 40 2.0
12 0 0 40 2.0
13 0 0 40 2.0
14 0 0 40 2.0
15 0 0 40 2.0
16 0 0 40 2.0
17 0 0 40 2.0
18 0 0 40 2.0
19 0 0 40 2.0
M 20 0 0 40 2.0
29 2 0 60 2.0
28 4 0 60 2.0
27 6 0 60 2.0
26 8 0 60 2.0
25 10 0 60 2.0
24 12 0 60 2.0
23 14 0 60 2.0
22 16 0 60 2.0
21 18 0 60 2.0
K 20 20 0 60 2.0


Why should kx jumps from 20 to 29 then decreases when it goes from M to K?
It seems to me that kx should be constant (=20) from M to K.

Regards!

Shen Li Qiu


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k-point is given in the fractional form of the reciprocal lattices!


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