3
0
mirror of https://github.com/triqs/dft_tools synced 2024-12-24 13:23:37 +01:00
dft_tools/test/python/elk/elk_transport_convert/EIGVAL.OUT

453 lines
18 KiB
Plaintext
Raw Normal View History

10 : nkpt
41 : nstsv
1 0.000000000 0.000000000 0.000000000 : k-point, vkl
(state, eigenvalue and occupancy below)
1 -2.080512267 2.000000000
2 -1.131321703 2.000000000
3 -1.131321703 2.000000000
4 -1.131321703 2.000000000
5 -0.9440995962 2.000000000
6 -0.4008824873 2.000000000
7 -0.3552791000 2.000000000
8 -0.3552791000 2.000000000
9 -0.2842140945 2.000000000
10 -0.2842140945 2.000000000
11 -0.2842140945 2.000000000
12 0.1240445701 2.000000000
13 0.1240445701 2.000000000
14 0.1240445701 2.000000000
15 0.1963657132 2.000000000
16 0.1963657132 2.000000000
17 0.1963657132 2.000000000
18 0.2274578760 1.999999992
19 0.2274578760 1.999999992
20 0.2274578760 1.999999992
21 0.2789989931 1.999610736
22 0.2789989931 1.999610736
23 0.2789989931 1.999610736
24 0.3630465670 0.2125849074E-03
25 0.3630465670 0.2125849074E-03
26 0.4679515512 0.5451436638E-13
27 0.4679515512 0.5451436638E-13
28 0.4816851639 0.3026205990E-14
29 0.6363678094 0.000000000
30 0.6363678094 0.000000000
31 0.6363678094 0.000000000
32 0.7998166430 0.000000000
33 0.8808469236 0.000000000
34 0.8808469236 0.000000000
35 0.8808469236 0.000000000
36 1.065275448 0.000000000
37 1.106537298 0.000000000
38 1.106537298 0.000000000
39 1.106537298 0.000000000
40 1.114329639 0.000000000
41 1.114329639 0.000000000
2 0.2500000000 0.000000000 0.000000000 : k-point, vkl
(state, eigenvalue and occupancy below)
1 -2.080514726 2.000000000
2 -1.131961789 2.000000000
3 -1.131259898 2.000000000
4 -1.131259898 2.000000000
5 -0.9434733782 2.000000000
6 -0.4030932930 2.000000000
7 -0.3558005147 2.000000000
8 -0.3545784259 2.000000000
9 -0.2829968758 2.000000000
10 -0.2829968758 2.000000000
11 -0.2705339640 2.000000000
12 0.9562813155E-01 2.000000000
13 0.1229027827 2.000000000
14 0.1229027827 2.000000000
15 0.1683668952 2.000000000
16 0.1683668952 2.000000000
17 0.1776091949 2.000000000
18 0.1784639199 2.000000000
19 0.2167716847 1.999999999
20 0.2167716847 1.999999999
21 0.2813385282 1.999363080
22 0.3214745569 0.8037742202
23 0.3214745569 0.8037742202
24 0.3633365372 0.1999973668E-03
25 0.4144489485 0.4246708330E-08
26 0.5095106025 0.8648154329E-17
27 0.5111416467 0.6134839477E-17
28 0.5351273961 0.3934381465E-19
29 0.6324102684 0.000000000
30 0.6642607449 0.000000000
31 0.6642607449 0.000000000
32 0.7960190565 0.000000000
33 0.8780457226 0.000000000
34 0.8780457226 0.000000000
35 0.8899244092 0.000000000
36 0.9651419141 0.000000000
37 1.041838225 0.000000000
38 1.050394425 0.000000000
39 1.073147780 0.000000000
40 1.073147780 0.000000000
41 1.117669614 0.000000000
3 0.5000000000 0.000000000 0.000000000 : k-point, vkl
(state, eigenvalue and occupancy below)
1 -2.080513814 2.000000000
2 -1.132561075 2.000000000
3 -1.131197618 2.000000000
4 -1.131197618 2.000000000
5 -0.9428429913 2.000000000
6 -0.4084840747 2.000000000
7 -0.3538218960 2.000000000
8 -0.3493956129 2.000000000
9 -0.2817566654 2.000000000
10 -0.2817566654 2.000000000
11 -0.2598241913 2.000000000
12 0.6750008399E-01 2.000000000
13 0.1234064938 2.000000000
14 0.1234064938 2.000000000
15 0.1468471185 2.000000000
16 0.1475592965 2.000000000
17 0.1475592965 2.000000000
18 0.1641591895 2.000000000
19 0.2112547815 2.000000000
20 0.2112547815 2.000000000
21 0.2837216985 1.998948331
22 0.3521551601 0.2103206695E-02
23 0.3521551601 0.2103206695E-02
24 0.3636863396 0.1858002276E-03
25 0.4484244397 0.3325073415E-11
26 0.5555227437 0.5372873872E-21
27 0.5580564637 0.000000000
28 0.6281545481 0.000000000
29 0.6332768152 0.000000000
30 0.6924711839 0.000000000
31 0.6924711839 0.000000000
32 0.7832042427 0.000000000
33 0.7952492737 0.000000000
34 0.8783043671 0.000000000
35 0.8783043671 0.000000000
36 0.9263470155 0.000000000
37 0.9863700604 0.000000000
38 1.036707628 0.000000000
39 1.044288631 0.000000000
40 1.044288631 0.000000000
41 1.063730137 0.000000000
4 0.2500000000 0.2500000000 0.000000000 : k-point, vkl
(state, eigenvalue and occupancy below)
1 -2.080511824 2.000000000
2 -1.131887251 2.000000000
3 -1.131837766 2.000000000
4 -1.131197033 2.000000000
5 -0.9429401838 2.000000000
6 -0.3974605375 2.000000000
7 -0.3620566958 2.000000000
8 -0.3528729546 2.000000000
9 -0.2816876954 2.000000000
10 -0.2755592785 2.000000000
11 -0.2700482434 2.000000000
12 0.8549464459E-01 2.000000000
13 0.1039850679 2.000000000
14 0.1197592033 2.000000000
15 0.1234063156 2.000000000
16 0.1534190222 2.000000000
17 0.1754124394 2.000000000
18 0.1903080757 2.000000000
19 0.1940948092 2.000000000
20 0.2141595996 2.000000000
21 0.3194426267 1.015072311
22 0.3245022138 0.5242393087
23 0.3329176927 0.1139393554
24 0.3879793546 0.1117036787E-05
25 0.4476081414 0.3948501584E-11
26 0.5410409716 0.1132975528E-19
27 0.5568849735 0.4033323986E-21
28 0.5593991787 0.000000000
29 0.6584128149 0.000000000
30 0.6721177465 0.000000000
31 0.6729437336 0.000000000
32 0.7949103648 0.000000000
33 0.8324112924 0.000000000
34 0.8621320579 0.000000000
35 0.8969048533 0.000000000
36 0.9027046018 0.000000000
37 1.007408242 0.000000000
38 1.029501374 0.000000000
39 1.074339136 0.000000000
40 1.076893891 0.000000000
41 1.128751369 0.000000000
5 0.5000000000 0.2500000000 0.000000000 : k-point, vkl
(state, eigenvalue and occupancy below)
1 -2.080516644 2.000000000
2 -1.132505567 2.000000000
3 -1.131831469 2.000000000
4 -1.131188930 2.000000000
5 -0.9424033497 2.000000000
6 -0.3957960711 2.000000000
7 -0.3591814716 2.000000000
8 -0.3541178510 2.000000000
9 -0.2803661842 2.000000000
10 -0.2742954844 2.000000000
11 -0.2649640993 2.000000000
12 0.6529285235E-01 2.000000000
13 0.8559456474E-01 2.000000000
14 0.9996644008E-01 2.000000000
15 0.1245856132 2.000000000
16 0.1368456129 2.000000000
17 0.1700010221 2.000000000
18 0.1826328474 2.000000000
19 0.1855885093 2.000000000
20 0.2170695333 1.999999999
21 0.3223628472 0.7157458658
22 0.3515221243 0.2402663417E-02
23 0.3543219376 0.1333364737E-02
24 0.3924661480 0.4343671841E-06
25 0.4810317048 0.3472496309E-14
26 0.5824775475 0.000000000
27 0.6006434357 0.000000000
28 0.6229744407 0.000000000
29 0.6657928700 0.000000000
30 0.6890579125 0.000000000
31 0.6988920450 0.000000000
32 0.7600560242 0.000000000
33 0.7996811574 0.000000000
34 0.8243744493 0.000000000
35 0.8498666471 0.000000000
36 0.8644616802 0.000000000
37 0.9690775661 0.000000000
38 0.9869076605 0.000000000
39 1.034865758 0.000000000
40 1.123730309 0.000000000
41 1.128370388 0.000000000
6 0.5000000000 0.5000000000 0.000000000 : k-point, vkl
(state, eigenvalue and occupancy below)
1 -2.080520955 2.000000000
2 -1.132455893 2.000000000
3 -1.132455893 2.000000000
4 -1.131189005 2.000000000
5 -0.9419600614 2.000000000
6 -0.3708405682 2.000000000
7 -0.3675324333 2.000000000
8 -0.3675324333 2.000000000
9 -0.2789504718 2.000000000
10 -0.2680552053 2.000000000
11 -0.2680552053 2.000000000
12 0.5666224095E-01 2.000000000
13 0.5997879306E-01 2.000000000
14 0.7470879262E-01 2.000000000
15 0.1270249798 2.000000000
16 0.1270249798 2.000000000
17 0.1634405624 2.000000000
18 0.1830815204 2.000000000
19 0.1830815204 2.000000000
20 0.2395374308 1.999999904
21 0.3512454267 0.2546590200E-02
22 0.3512454267 0.2546590200E-02
23 0.3645272715 0.1556573220E-03
24 0.4011213198 0.7023398731E-07
25 0.5183058971 0.1357696728E-17
26 0.6064363025 0.000000000
27 0.6159845550 0.000000000
28 0.6990405455 0.000000000
29 0.6990405455 0.000000000
30 0.7103510551 0.000000000
31 0.7103510551 0.000000000
32 0.7116459075 0.000000000
33 0.7967523170 0.000000000
34 0.8017254737 0.000000000
35 0.8017254737 0.000000000
36 0.8135562157 0.000000000
37 0.8435908413 0.000000000
38 0.9580560026 0.000000000
39 1.078260584 0.000000000
40 1.131358055 0.000000000
41 1.131358055 0.000000000
7 0.2500000000 0.2500000000 0.2500000000 : k-point, vkl
(state, eigenvalue and occupancy below)
1 -2.080515480 2.000000000
2 -1.131875431 2.000000000
3 -1.131806375 2.000000000
4 -1.131806375 2.000000000
5 -0.9424519916 2.000000000
6 -0.3896791846 2.000000000
7 -0.3569554902 2.000000000
8 -0.3569554902 2.000000000
9 -0.2818886539 2.000000000
10 -0.2818886539 2.000000000
11 -0.2672132865 2.000000000
12 0.7778773439E-01 2.000000000
13 0.1044082288 2.000000000
14 0.1044082288 2.000000000
15 0.1249079757 2.000000000
16 0.1249079757 2.000000000
17 0.1271323455 2.000000000
18 0.2064216329 2.000000000
19 0.2064216329 2.000000000
20 0.2182249352 1.999999999
21 0.3339101530 0.9346027504E-01
22 0.3374089046 0.4586259343E-01
23 0.3374089046 0.4586259343E-01
24 0.4469383856 0.4546378260E-11
25 0.4469383856 0.4546378260E-11
26 0.5645469555 0.000000000
27 0.5734209778 0.000000000
28 0.5734209778 0.000000000
29 0.6611308349 0.000000000
30 0.6611308349 0.000000000
31 0.6990720112 0.000000000
32 0.7649570882 0.000000000
33 0.8586395019 0.000000000
34 0.8600083874 0.000000000
35 0.8600083874 0.000000000
36 0.9037216713 0.000000000
37 1.014153721 0.000000000
38 1.014153721 0.000000000
39 1.058271567 0.000000000
40 1.081035969 0.000000000
41 1.081035969 0.000000000
8 0.5000000000 0.2500000000 0.2500000000 : k-point, vkl
(state, eigenvalue and occupancy below)
1 -2.080519330 2.000000000
2 -1.132445030 2.000000000
3 -1.131812433 2.000000000
4 -1.131767460 2.000000000
5 -0.9419601107 2.000000000
6 -0.3836050557 2.000000000
7 -0.3586803274 2.000000000
8 -0.3507878002 2.000000000
9 -0.2892859169 2.000000000
10 -0.2733919633 2.000000000
11 -0.2729269023 2.000000000
12 0.6420364400E-01 2.000000000
13 0.8764166715E-01 2.000000000
14 0.9832186024E-01 2.000000000
15 0.1062635871 2.000000000
16 0.1087541531 2.000000000
17 0.1320397301 2.000000000
18 0.2052526469 2.000000000
19 0.2111116135 2.000000000
20 0.2216634623 1.999999998
21 0.3395176561 0.2966527106E-01
22 0.3566335978 0.8198117851E-03
23 0.3580795416 0.6047330188E-03
24 0.4456825310 0.5922207457E-11
25 0.4889223373 0.6595245603E-15
26 0.5891636945 0.000000000
27 0.6102905989 0.000000000
28 0.6180275857 0.000000000
29 0.6198651204 0.000000000
30 0.6847960902 0.000000000
31 0.7249584754 0.000000000
32 0.7388718839 0.000000000
33 0.8161833084 0.000000000
34 0.8171221211 0.000000000
35 0.8709181696 0.000000000
36 0.8867645532 0.000000000
37 1.002014258 0.000000000
38 1.012332882 0.000000000
39 1.019115042 0.000000000
40 1.021559343 0.000000000
41 1.047306053 0.000000000
9 0.5000000000 0.5000000000 0.2500000000 : k-point, vkl
(state, eigenvalue and occupancy below)
1 -2.080522680 2.000000000
2 -1.132393654 2.000000000
3 -1.132393654 2.000000000
4 -1.131754560 2.000000000
5 -0.9415133934 2.000000000
6 -0.3596386819 2.000000000
7 -0.3591852398 2.000000000
8 -0.3591852398 2.000000000
9 -0.2880959662 2.000000000
10 -0.2806251690 2.000000000
11 -0.2806251690 2.000000000
12 0.5632752636E-01 2.000000000
13 0.7491772650E-01 2.000000000
14 0.7929794789E-01 2.000000000
15 0.1088909407 2.000000000
16 0.1088909407 2.000000000
17 0.1098550334 2.000000000
18 0.2164950169 1.999999999
19 0.2164950169 1.999999999
20 0.2410648719 1.999999868
21 0.3604113155 0.3701939464E-03
22 0.3604113155 0.3701939464E-03
23 0.3684696462 0.6788161140E-04
24 0.4636321561 0.1353371421E-12
25 0.5182938651 0.1361140024E-17
26 0.5766230558 0.000000000
27 0.6015538186 0.000000000
28 0.6015538186 0.000000000
29 0.6440236851 0.000000000
30 0.6771736402 0.000000000
31 0.7573192704 0.000000000
32 0.7573192704 0.000000000
33 0.7888295933 0.000000000
34 0.8361736752 0.000000000
35 0.8661545522 0.000000000
36 0.8942150917 0.000000000
37 0.8942150917 0.000000000
38 0.9782302280 0.000000000
39 1.024092075 0.000000000
40 1.057377171 0.000000000
41 1.057377171 0.000000000
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