Fermi-KPOINTS.py

[flower0226]

the KPOINTS i got from this script is like this (use default kx ky kz) :

1 k-points for fermi-surface. K-mesh of 9x9x9
2 1000
3 Reciprocal
4 0.0000 0.0000 0.0000 1
5 0.0000 0.0000 0.0000 1
6 0.0000 0.0000 0.0000 1
7 0.0000 0.0000 0.0000 1
8 0.0000 0.0000 0.0000 1
9 0.0000 0.0000 0.0000 1
10 0.0000 0.0000 0.0000 1
11 0.0000 0.0000 0.0000 1
12 0.0000 0.0000 0.0000 1
13 0.0000 0.0000 1.0000 1
14 0.0000 0.0000 0.0000 1
15 0.0000 0.0000 0.0000 1
16 0.0000 0.0000 0.0000 1
17 0.0000 0.0000 0.0000 1
18 0.0000 0.0000 0.0000 1
19 0.0000 0.0000 0.0000 1
20 0.0000 0.0000 0.0000 1
21 0.0000 0.0000 0.0000 1
22 0.0000 0.0000 0.0000 1
23 0.0000 0.0000 1.0000 1
24 0.0000 0.0000 0.0000 1
25 0.0000 0.0000 0.0000 1
26 0.0000 0.0000 0.0000 1

I'm not quite sure if it is correct, seems like very different from the example one.
Expected to receive any kind of respond! Tks!

[antonvF]

Hi! I came across the same problem. Seems to be the issue with python converting coordinated to integers automatically. So, just change this line in script:
data_array[i*(ky+1)*(kz+1)+j*(kz+1)+k,:-1]=[i/kx, j/ky, k/kz]
to this one:
data_array[i*(ky+1)*(kz+1)+j*(kz+1)+k,:-1]=[i*1.0/kx, j*1.0/ky, k*1.0/kz]
It should work.