mirror of
https://github.com/triqs/dft_tools
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c202286341
* elk-transport * minor updates * specify explicitly fortran compiler and python exe in CMAKE Co-authored-by: Alexander Hampel <ahampel@flatironinstitute.org>
453 lines
18 KiB
Plaintext
453 lines
18 KiB
Plaintext
10 : nkpt
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41 : nstsv
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1 0.000000000 0.000000000 0.000000000 : k-point, vkl
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(state, eigenvalue and occupancy below)
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(state, eigenvalue and occupancy below)
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3 0.5000000000 0.000000000 0.000000000 : k-point, vkl
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(state, eigenvalue and occupancy below)
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4 0.2500000000 0.2500000000 0.000000000 : k-point, vkl
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(state, eigenvalue and occupancy below)
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5 0.5000000000 0.2500000000 0.000000000 : k-point, vkl
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(state, eigenvalue and occupancy below)
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6 0.5000000000 0.5000000000 0.000000000 : k-point, vkl
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(state, eigenvalue and occupancy below)
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7 0.2500000000 0.2500000000 0.2500000000 : k-point, vkl
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(state, eigenvalue and occupancy below)
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8 0.5000000000 0.2500000000 0.2500000000 : k-point, vkl
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(state, eigenvalue and occupancy below)
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9 0.5000000000 0.5000000000 0.2500000000 : k-point, vkl
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(state, eigenvalue and occupancy below)
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|
|
10 0.5000000000 0.5000000000 0.5000000000 : k-point, vkl
|
|
(state, eigenvalue and occupancy below)
|
|
1 -2.080527855 2.000000000
|
|
2 -1.132357683 2.000000000
|
|
3 -1.132357683 2.000000000
|
|
4 -1.132357683 2.000000000
|
|
5 -0.9410634384 2.000000000
|
|
6 -0.3473114993 2.000000000
|
|
7 -0.3473114993 2.000000000
|
|
8 -0.3473114993 2.000000000
|
|
9 -0.2965931205 2.000000000
|
|
10 -0.2965931205 2.000000000
|
|
11 -0.2965931205 2.000000000
|
|
12 0.4838027108E-01 2.000000000
|
|
13 0.7515130093E-01 2.000000000
|
|
14 0.7515130093E-01 2.000000000
|
|
15 0.9826324489E-01 2.000000000
|
|
16 0.9826324489E-01 2.000000000
|
|
17 0.9826324489E-01 2.000000000
|
|
18 0.2427459837 1.999999811
|
|
19 0.2427459837 1.999999811
|
|
20 0.2427459837 1.999999811
|
|
21 0.3727487023 0.2757673925E-04
|
|
22 0.3727487023 0.2757673925E-04
|
|
23 0.3727487023 0.2757673925E-04
|
|
24 0.5184055902 0.1329499565E-17
|
|
25 0.5184055902 0.1329499565E-17
|
|
26 0.5489625930 0.2137846515E-20
|
|
27 0.5489625930 0.2137846515E-20
|
|
28 0.5489625930 0.2137846515E-20
|
|
29 0.6285993875 0.000000000
|
|
30 0.7678355226 0.000000000
|
|
31 0.7678355226 0.000000000
|
|
32 0.7814941986 0.000000000
|
|
33 0.7814941986 0.000000000
|
|
34 0.7814941986 0.000000000
|
|
35 0.8648326754 0.000000000
|
|
36 0.9932575682 0.000000000
|
|
37 0.9932575682 0.000000000
|
|
38 0.9932575682 0.000000000
|
|
39 1.011442529 0.000000000
|
|
40 1.011442529 0.000000000
|
|
41 1.011442529 0.000000000
|
|
|