mirror of
https://github.com/triqs/dft_tools
synced 2024-06-18 11:15:32 +02:00
279 lines
8.9 KiB
Plaintext
279 lines
8.9 KiB
Plaintext
1 1 1 1
|
|
0.1333597E+02 0.2587511E-09 0.2587511E-09 0.2587511E-09 0.4000000E-15
|
|
1.000000000000000E-004
|
|
CAR
|
|
unknown system
|
|
11 8 32
|
|
|
|
0.0000000E+00 0.0000000E+00 0.0000000E+00 0.1250000E+00
|
|
1 -31.021111 1.000000
|
|
2 -31.020263 1.000000
|
|
3 -30.943203 1.000000
|
|
4 -0.679392 1.000000
|
|
5 6.364495 1.000000
|
|
6 6.403995 1.415392
|
|
7 6.405118 0.656552
|
|
8 8.427467 0.000000
|
|
9 8.462406 0.000000
|
|
10 27.065256 0.000000
|
|
11 27.079669 0.000000
|
|
12 27.084811 0.000000
|
|
13 33.492553 0.000000
|
|
14 33.508012 0.000000
|
|
15 36.342831 0.000000
|
|
16 37.462161 0.000000
|
|
17 37.500834 0.000000
|
|
18 37.516710 0.000000
|
|
19 39.101935 0.000000
|
|
20 39.120622 0.000000
|
|
21 39.134351 0.000000
|
|
22 52.734414 0.000000
|
|
23 64.286218 0.000000
|
|
24 64.286476 0.000000
|
|
25 64.300824 0.000000
|
|
26 68.433639 0.000000
|
|
27 68.438526 0.000000
|
|
28 79.314749 0.000000
|
|
29 82.561855 0.000000
|
|
30 90.201928 0.000000
|
|
31 90.212352 0.000000
|
|
32 90.214646 0.000000
|
|
|
|
0.5000000E+00 0.0000000E+00 0.0000000E+00 0.1250000E+00
|
|
1 -31.933859 1.000000
|
|
2 -31.273994 1.000000
|
|
3 -31.002804 1.000000
|
|
4 2.751953 1.000000
|
|
5 4.826546 1.000000
|
|
6 7.608192 0.506181
|
|
7 8.447978 0.013698
|
|
8 8.805597 0.000000
|
|
9 10.160425 0.000000
|
|
10 16.238915 0.000000
|
|
11 22.208053 0.000000
|
|
12 26.097135 0.000000
|
|
13 29.208402 0.000000
|
|
14 32.785001 0.000000
|
|
15 36.047820 0.000000
|
|
16 36.342931 0.000000
|
|
17 40.973475 0.000000
|
|
18 44.037433 0.000000
|
|
19 49.819956 0.000000
|
|
20 50.270827 0.000000
|
|
21 53.534472 0.000000
|
|
22 54.514864 0.000000
|
|
23 57.450384 0.000000
|
|
24 59.480652 0.000000
|
|
25 60.310993 0.000000
|
|
26 61.311370 0.000000
|
|
27 65.711112 0.000000
|
|
28 66.022757 0.000000
|
|
29 73.053660 0.000000
|
|
30 74.112791 0.000000
|
|
31 76.351795 0.000000
|
|
32 81.860817 0.000000
|
|
|
|
0.0000000E+00 0.5000000E+00 0.0000000E+00 0.1250000E+00
|
|
1 -31.933793 1.000000
|
|
2 -31.274078 1.000000
|
|
3 -31.002789 1.000000
|
|
4 2.751975 1.000000
|
|
5 4.826515 1.000000
|
|
6 7.608206 0.505538
|
|
7 8.447936 0.013703
|
|
8 8.805647 0.000000
|
|
9 10.160418 0.000000
|
|
10 16.238920 0.000000
|
|
11 22.208053 0.000000
|
|
12 26.097129 0.000000
|
|
13 29.208369 0.000000
|
|
14 32.785021 0.000000
|
|
15 36.047830 0.000000
|
|
16 36.342930 0.000000
|
|
17 40.973489 0.000000
|
|
18 44.037433 0.000000
|
|
19 49.819942 0.000000
|
|
20 50.270835 0.000000
|
|
21 53.534457 0.000000
|
|
22 54.514850 0.000000
|
|
23 57.450381 0.000000
|
|
24 59.480660 0.000000
|
|
25 60.310990 0.000000
|
|
26 61.311383 0.000000
|
|
27 65.711111 0.000000
|
|
28 66.022767 0.000000
|
|
29 73.053657 0.000000
|
|
30 74.112794 0.000000
|
|
31 76.351794 0.000000
|
|
32 81.860816 0.000000
|
|
|
|
0.5000000E+00 0.5000000E+00 0.0000000E+00 0.1250000E+00
|
|
1 -31.948528 1.000000
|
|
2 -31.310684 1.000000
|
|
3 -30.950673 1.000000
|
|
4 2.741003 1.000000
|
|
5 4.836373 1.000000
|
|
6 7.603011 0.595059
|
|
7 8.460253 0.010175
|
|
8 8.831092 0.000000
|
|
9 10.126016 0.000000
|
|
10 16.242467 0.000000
|
|
11 22.221595 0.000000
|
|
12 26.073121 0.000000
|
|
13 29.217952 0.000000
|
|
14 32.780485 0.000000
|
|
15 36.043292 0.000000
|
|
16 36.342883 0.000000
|
|
17 40.971367 0.000000
|
|
18 44.044386 0.000000
|
|
19 49.830891 0.000000
|
|
20 50.263669 0.000000
|
|
21 53.508411 0.000000
|
|
22 54.528041 0.000000
|
|
23 57.471079 0.000000
|
|
24 59.502054 0.000000
|
|
25 60.287748 0.000000
|
|
26 61.298391 0.000000
|
|
27 65.706780 0.000000
|
|
28 66.013723 0.000000
|
|
29 73.071047 0.000000
|
|
30 74.111180 0.000000
|
|
31 76.360179 0.000000
|
|
32 81.882467 0.000000
|
|
|
|
0.0000000E+00 0.0000000E+00 0.5000000E+00 0.1250000E+00
|
|
1 -31.874707 1.000000
|
|
2 -31.310174 1.000000
|
|
3 -31.027669 1.000000
|
|
4 2.765955 1.000000
|
|
5 4.801511 1.000000
|
|
6 7.628387 0.223703
|
|
7 8.411721 0.017667
|
|
8 8.832844 0.000000
|
|
9 10.169959 0.000000
|
|
10 16.237204 0.000000
|
|
11 22.201523 0.000000
|
|
12 26.101569 0.000000
|
|
13 29.186259 0.000000
|
|
14 32.798755 0.000000
|
|
15 36.060893 0.000000
|
|
16 36.342922 0.000000
|
|
17 40.988355 0.000000
|
|
18 44.032179 0.000000
|
|
19 49.810117 0.000000
|
|
20 50.271147 0.000000
|
|
21 53.517868 0.000000
|
|
22 54.505287 0.000000
|
|
23 57.444224 0.000000
|
|
24 59.484045 0.000000
|
|
25 60.310980 0.000000
|
|
26 61.315133 0.000000
|
|
27 65.705227 0.000000
|
|
28 66.032257 0.000000
|
|
29 73.055084 0.000000
|
|
30 74.129620 0.000000
|
|
31 76.343440 0.000000
|
|
32 81.873313 0.000000
|
|
|
|
0.5000000E+00 0.0000000E+00 0.5000000E+00 0.1250000E+00
|
|
1 -31.929739 1.000000
|
|
2 -31.273260 1.000000
|
|
3 -31.008274 1.000000
|
|
4 2.755281 1.000000
|
|
5 4.827532 1.000000
|
|
6 7.611388 0.251113
|
|
7 8.446211 0.011164
|
|
8 8.805913 0.000000
|
|
9 10.161691 0.000000
|
|
10 16.232955 0.000000
|
|
11 22.203248 0.000000
|
|
12 26.095501 0.000000
|
|
13 29.204662 0.000000
|
|
14 32.791814 0.000000
|
|
15 36.047734 0.000000
|
|
16 36.342925 0.000000
|
|
17 40.976757 0.000000
|
|
18 44.037429 0.000000
|
|
19 49.817837 0.000000
|
|
20 50.271685 0.000000
|
|
21 53.536577 0.000000
|
|
22 54.518061 0.000000
|
|
23 57.450952 0.000000
|
|
24 59.475367 0.000000
|
|
25 60.309855 0.000000
|
|
26 61.312344 0.000000
|
|
27 65.704469 0.000000
|
|
28 66.023063 0.000000
|
|
29 73.063148 0.000000
|
|
30 74.111263 0.000000
|
|
31 76.356404 0.000000
|
|
32 81.861117 0.000000
|
|
|
|
0.0000000E+00 0.5000000E+00 0.5000000E+00 0.1250000E+00
|
|
1 -31.929745 1.000000
|
|
2 -31.273188 1.000000
|
|
3 -31.008340 1.000000
|
|
4 2.755278 1.000000
|
|
5 4.827537 1.000000
|
|
6 7.611394 0.250970
|
|
7 8.446217 0.011163
|
|
8 8.805863 0.000000
|
|
9 10.161734 0.000000
|
|
10 16.232944 0.000000
|
|
11 22.203227 0.000000
|
|
12 26.095523 0.000000
|
|
13 29.204671 0.000000
|
|
14 32.791816 0.000000
|
|
15 36.047737 0.000000
|
|
16 36.342926 0.000000
|
|
17 40.976757 0.000000
|
|
18 44.037421 0.000000
|
|
19 49.817837 0.000000
|
|
20 50.271686 0.000000
|
|
21 53.536601 0.000000
|
|
22 54.518064 0.000000
|
|
23 57.450929 0.000000
|
|
24 59.475339 0.000000
|
|
25 60.309871 0.000000
|
|
26 61.312349 0.000000
|
|
27 65.704459 0.000000
|
|
28 66.023068 0.000000
|
|
29 73.063144 0.000000
|
|
30 74.111271 0.000000
|
|
31 76.356399 0.000000
|
|
32 81.861109 0.000000
|
|
|
|
0.5000000E+00 0.5000000E+00 0.5000000E+00 0.1250000E+00
|
|
1 -31.653896 1.000000
|
|
2 -31.653637 1.000000
|
|
3 -31.577957 1.000000
|
|
4 2.924545 1.000000
|
|
5 2.948676 1.000000
|
|
6 9.728656 -0.410809
|
|
7 9.770545 -0.071269
|
|
8 9.774471 0.000000
|
|
9 16.288506 0.000000
|
|
10 16.305801 0.000000
|
|
11 16.334443 0.000000
|
|
12 22.925373 0.000000
|
|
13 22.948902 0.000000
|
|
14 28.058156 0.000000
|
|
15 36.343220 0.000000
|
|
16 39.981182 0.000000
|
|
17 50.686085 0.000000
|
|
18 50.688789 0.000000
|
|
19 50.689232 0.000000
|
|
20 50.698814 0.000000
|
|
21 50.703342 0.000000
|
|
22 50.711288 0.000000
|
|
23 61.415419 0.000000
|
|
24 70.116279 0.000000
|
|
25 70.135212 0.000000
|
|
26 70.141056 0.000000
|
|
27 73.355489 0.000000
|
|
28 73.356214 0.000000
|
|
29 73.373727 0.000000
|
|
30 75.649726 0.000000
|
|
31 75.664253 0.000000
|
|
32 75.665433 0.000000
|