mirror of
https://github.com/triqs/dft_tools
synced 2024-09-01 16:53:43 +02:00
273 lines
9.4 KiB
Plaintext
273 lines
9.4 KiB
Plaintext
![]() |
nlm = 9
|
||
|
1 1 1 1 2.00000
|
||
|
1 0.0000000 0.0000000
|
||
|
2 0.4050880 0.0000000
|
||
|
3 0.4029369 0.0000000
|
||
|
4 0.4057568 0.0000000
|
||
|
5 -0.0000006 0.0000000
|
||
|
6 -0.0000004 0.0000000
|
||
|
7 0.0000001 0.0000000
|
||
|
8 -0.0000004 0.0000000
|
||
|
9 0.0000002 0.0000000
|
||
|
1 1 1 2 2.00000
|
||
|
1 -0.0000000 0.0000000
|
||
|
2 0.1930381 0.0000000
|
||
|
3 -0.6538923 0.0000000
|
||
|
4 0.4568927 0.0000000
|
||
|
5 -0.0000004 0.0000000
|
||
|
6 -0.0000007 0.0000000
|
||
|
7 -0.0000007 0.0000000
|
||
|
8 0.0000001 0.0000000
|
||
|
9 0.0000003 0.0000000
|
||
|
1 1 1 3 2.00000
|
||
|
1 0.0000000 0.0000000
|
||
|
2 -0.7428721 0.0000000
|
||
|
3 0.1099217 0.0000000
|
||
|
4 0.6337009 0.0000000
|
||
|
5 0.0000011 0.0000000
|
||
|
6 0.0000017 0.0000000
|
||
|
7 0.0000004 0.0000000
|
||
|
8 -0.0000001 0.0000000
|
||
|
9 -0.0000001 0.0000000
|
||
|
1 1 1 4 2.00000
|
||
|
1 -0.3182364 0.0000000
|
||
|
2 0.0000000 0.0000000
|
||
|
3 -0.0000000 0.0000000
|
||
|
4 -0.0000000 0.0000000
|
||
|
5 0.0000001 0.0000000
|
||
|
6 0.0000001 0.0000000
|
||
|
7 0.0000000 0.0000000
|
||
|
8 0.0000001 0.0000000
|
||
|
9 0.0000000 0.0000000
|
||
|
1 1 1 5 2.00000
|
||
|
1 -0.0000008 0.0000000
|
||
|
2 -0.0000013 0.0000000
|
||
|
3 0.0000010 0.0000000
|
||
|
4 0.0000008 0.0000000
|
||
|
5 -0.3314341 0.0000000
|
||
|
6 -0.3414627 0.0000000
|
||
|
7 -0.0000000 0.0000000
|
||
|
8 -0.3413397 0.0000000
|
||
|
9 -0.0000000 0.0000000
|
||
|
1 1 1 6 2.00000
|
||
|
1 -0.0000006 0.0000000
|
||
|
2 -0.0000005 0.0000000
|
||
|
3 -0.0000009 0.0000000
|
||
|
4 -0.0000006 0.0000000
|
||
|
5 0.5355566 0.0000000
|
||
|
6 -0.2614713 0.0000000
|
||
|
7 -0.0000001 0.0000000
|
||
|
8 -0.2587571 0.0000000
|
||
|
9 0.0000000 0.0000000
|
||
|
1 1 1 7 2.00000
|
||
|
1 0.0000003 0.0000000
|
||
|
2 -0.0000010 0.0000000
|
||
|
3 0.0000006 0.0000000
|
||
|
4 0.0000010 0.0000000
|
||
|
5 -0.0019230 0.0000000
|
||
|
6 -0.5896138 0.0000000
|
||
|
7 0.0000000 0.0000000
|
||
|
8 0.5917712 0.0000000
|
||
|
9 0.0000001 0.0000000
|
||
|
1 1 1 8 0.00000
|
||
|
1 -0.0000006 0.0000000
|
||
|
2 -0.0000002 0.0000000
|
||
|
3 0.0000002 0.0000000
|
||
|
4 -0.0000002 0.0000000
|
||
|
5 -0.0000000 0.0000000
|
||
|
6 0.0000001 0.0000000
|
||
|
7 -0.0384668 0.0000000
|
||
|
8 -0.0000001 0.0000000
|
||
|
9 0.8256005 0.0000000
|
||
|
1 1 1 9 0.00000
|
||
|
1 0.0000013 0.0000000
|
||
|
2 -0.0000007 0.0000000
|
||
|
3 0.0000009 0.0000000
|
||
|
4 0.0000001 0.0000000
|
||
|
5 -0.0000001 0.0000000
|
||
|
6 0.0000000 0.0000000
|
||
|
7 -0.6450752 0.0000000
|
||
|
8 0.0000000 0.0000000
|
||
|
9 -0.0484466 0.0000000
|
||
|
1 1 2 1 2.00000
|
||
|
1 0.0000000 0.0000000
|
||
|
2 0.6894316 0.0000000
|
||
|
3 0.6894316 0.0000000
|
||
|
4 0.0000003 0.0000000
|
||
|
5 -0.0000009 0.0000000
|
||
|
6 -0.0000008 0.0000000
|
||
|
7 -0.0000003 0.0000000
|
||
|
8 0.0000010 0.0000000
|
||
|
9 0.0000001 0.0000000
|
||
|
1 1 2 2 2.00000
|
||
|
1 0.0000000 0.0000000
|
||
|
2 0.0000002 0.0000000
|
||
|
3 0.0000002 0.0000000
|
||
|
4 -0.9184595 0.0000000
|
||
|
5 0.0000008 0.0000000
|
||
|
6 0.0000001 0.0000000
|
||
|
7 -0.0000000 0.0000000
|
||
|
8 -0.0000008 0.0000000
|
||
|
9 0.0000000 0.0000000
|
||
|
1 1 2 3 2.00000
|
||
|
1 -0.0000000 0.0000000
|
||
|
2 0.5870812 0.0000000
|
||
|
3 -0.5870812 0.0000000
|
||
|
4 -0.0000000 0.0000000
|
||
|
5 0.0000000 0.0000000
|
||
|
6 0.0000006 0.0000000
|
||
|
7 0.0000002 0.0000000
|
||
|
8 -0.0000000 0.0000000
|
||
|
9 -0.0000005 0.0000000
|
||
|
1 1 2 4 2.00000
|
||
|
1 0.0652648 0.0000000
|
||
|
2 -0.0000003 0.0000000
|
||
|
3 0.0000005 0.0000000
|
||
|
4 0.0000015 0.0000000
|
||
|
5 0.0000000 0.0000000
|
||
|
6 -0.2135086 0.0000000
|
||
|
7 -0.0808953 0.0000000
|
||
|
8 0.0000000 0.0000000
|
||
|
9 0.1401148 0.0000000
|
||
|
1 1 2 5 2.00000
|
||
|
1 0.0000012 0.0000000
|
||
|
2 -0.0000015 0.0000000
|
||
|
3 -0.0000016 0.0000000
|
||
|
4 0.0000004 0.0000000
|
||
|
5 -0.5060075 0.0000000
|
||
|
6 0.0000005 0.0000000
|
||
|
7 0.0000002 0.0000000
|
||
|
8 0.5060075 0.0000000
|
||
|
9 -0.0000002 0.0000000
|
||
|
1 1 2 6 0.66667
|
||
|
1 -0.0000000 0.0000000
|
||
|
2 0.0431911 0.0000000
|
||
|
3 0.0431911 0.0000000
|
||
|
4 -0.0000000 0.0000000
|
||
|
5 0.0000000 0.0000000
|
||
|
6 -0.0000000 0.0000000
|
||
|
7 -0.0000000 0.0000000
|
||
|
8 -0.0000000 0.0000000
|
||
|
9 0.0000000 0.0000000
|
||
|
1 1 2 7 0.00000
|
||
|
1 -0.0242085 0.0000000
|
||
|
2 0.0000003 0.0000000
|
||
|
3 0.0000001 0.0000000
|
||
|
4 -0.0000002 0.0000000
|
||
|
5 -0.0000000 0.0000000
|
||
|
6 0.1925365 0.0000000
|
||
|
7 -0.1427571 0.0000000
|
||
|
8 -0.0000000 0.0000000
|
||
|
9 0.2472626 0.0000000
|
||
|
1 1 2 8 0.00000
|
||
|
1 0.0000019 0.0000000
|
||
|
2 -0.0000001 0.0000000
|
||
|
3 0.0000000 0.0000000
|
||
|
4 0.0000000 0.0000000
|
||
|
5 0.0000000 0.0000000
|
||
|
6 0.0000033 0.0000000
|
||
|
7 -0.0619411 0.0000000
|
||
|
8 0.0000000 0.0000000
|
||
|
9 -0.0357636 0.0000000
|
||
|
1 1 2 9 0.00000
|
||
|
1 0.0000000 0.0000000
|
||
|
2 0.0000001 0.0000000
|
||
|
3 0.0000001 0.0000000
|
||
|
4 0.0000000 0.0000000
|
||
|
5 -0.2827905 0.0000000
|
||
|
6 0.0000001 0.0000000
|
||
|
7 0.0000000 0.0000000
|
||
|
8 -0.2827905 0.0000000
|
||
|
9 -0.0000001 0.0000000
|
||
|
1 1 3 1 2.00000
|
||
|
1 -0.0000000 0.0000000
|
||
|
2 -0.0607441 0.0000000
|
||
|
3 -0.0633386 0.0000000
|
||
|
4 -0.0619857 0.0000000
|
||
|
5 -0.0000001 0.0000000
|
||
|
6 0.0000001 0.0000000
|
||
|
7 0.0000006 0.0000000
|
||
|
8 0.0000000 0.0000000
|
||
|
9 -0.0000004 0.0000000
|
||
|
1 1 3 2 2.00000
|
||
|
1 -0.0000000 0.0000000
|
||
|
2 -0.2519223 0.0000000
|
||
|
3 0.3270304 0.0000000
|
||
|
4 -0.0742897 0.0000000
|
||
|
5 0.0000000 0.0000000
|
||
|
6 -0.0000000 0.0000000
|
||
|
7 -0.0000011 0.0000000
|
||
|
8 0.0000000 0.0000000
|
||
|
9 0.0000008 0.0000000
|
||
|
1 1 3 3 2.00000
|
||
|
1 0.0000000 0.0000000
|
||
|
2 0.1061079 0.0000000
|
||
|
3 0.1572919 0.0000000
|
||
|
4 -0.2623809 0.0000000
|
||
|
5 -0.0000000 0.0000000
|
||
|
6 0.0000000 0.0000000
|
||
|
7 0.0000003 0.0000000
|
||
|
8 0.0000000 0.0000000
|
||
|
9 -0.0000001 0.0000000
|
||
|
1 1 3 4 2.00000
|
||
|
1 -0.0000000 0.0000000
|
||
|
2 0.0000000 0.0000000
|
||
|
3 -0.0000000 0.0000000
|
||
|
4 -0.0000001 0.0000000
|
||
|
5 -0.0000000 0.0000000
|
||
|
6 0.0000000 0.0000000
|
||
|
7 0.0000645 0.0000000
|
||
|
8 -0.0000000 0.0000000
|
||
|
9 -0.5631694 0.0000000
|
||
|
1 1 3 5 2.00000
|
||
|
1 0.0000000 0.0000000
|
||
|
2 -0.0000005 0.0000000
|
||
|
3 0.0000006 0.0000000
|
||
|
4 0.0000001 0.0000000
|
||
|
5 -0.0000000 0.0000000
|
||
|
6 0.0000000 0.0000000
|
||
|
7 0.7211366 0.0000000
|
||
|
8 0.0000000 0.0000000
|
||
|
9 0.0000478 0.0000000
|
||
|
1 1 3 6 0.00000
|
||
|
1 -0.0000010 0.0000000
|
||
|
2 0.0000001 0.0000000
|
||
|
3 -0.0000001 0.0000000
|
||
|
4 0.0000003 0.0000000
|
||
|
5 -0.4425794 0.0000000
|
||
|
6 -0.5088829 0.0000000
|
||
|
7 -0.0000000 0.0000000
|
||
|
8 -0.5129848 0.0000000
|
||
|
9 0.0000000 0.0000000
|
||
|
1 1 3 7 0.00000
|
||
|
1 0.0000000 0.0000000
|
||
|
2 0.0000001 0.0000000
|
||
|
3 -0.0000001 0.0000000
|
||
|
4 -0.0000000 0.0000000
|
||
|
5 -0.6791375 0.0000000
|
||
|
6 0.2412815 0.0000000
|
||
|
7 -0.0000002 0.0000000
|
||
|
8 0.3450642 0.0000000
|
||
|
9 -0.0000001 0.0000000
|
||
|
1 1 3 8 0.00000
|
||
|
1 -0.0000000 0.0000000
|
||
|
2 0.0000001 0.0000000
|
||
|
3 -0.0000000 0.0000000
|
||
|
4 0.0000002 0.0000000
|
||
|
5 -0.0362770 0.0000000
|
||
|
6 0.4965687 0.0000000
|
||
|
7 -0.0000001 0.0000000
|
||
|
8 -0.4630865 0.0000000
|
||
|
9 0.0000001 0.0000000
|
||
|
1 1 3 9 0.00000
|
||
|
1 0.0000002 0.0000000
|
||
|
2 0.0137783 0.0000000
|
||
|
3 -0.0194955 0.0000000
|
||
|
4 -0.0003781 0.0000000
|
||
|
5 -0.0000000 0.0000000
|
||
|
6 0.0000000 0.0000000
|
||
|
7 -0.0000001 0.0000000
|
||
|
8 0.0000000 0.0000000
|
||
|
9 0.0000000 0.0000000
|
||
|
|