LCPQ/dft_tools
3
0
Fork 0
mirror of https://github.com/triqs/dft_tools synced 2024-11-18 12:03:50 +01:00
Code Issues Releases Wiki Activity
32ee58ae1d
dft_tools/test/python/elk/occ_test/SYMCRYS.OUT

581 lines
11 KiB
Plaintext
Raw Normal View History

spectral routines update
2023-04-15 00:43:23 +02:00
(translation vectors and rotation matrices are in lattice coordinates)
48 : nsymcrys
Crystal symmetry : 1
spatial translation :
0.000000000 0.000000000 0.000000000
spatial rotation :
1 0 0
0 1 0
0 0 1
global spin rotation :
1 0 0
0 1 0
0 0 1
Crystal symmetry : 2
spatial translation :
0.000000000 0.000000000 0.000000000
spatial rotation :
-1 0 0
0 -1 0
0 0 -1
global spin rotation :
1 0 0
0 1 0
0 0 1
Crystal symmetry : 3
spatial translation :
0.000000000 0.000000000 0.000000000
spatial rotation :
-1 0 0
0 0 -1
0 -1 0
global spin rotation :
1 0 0
0 1 0
0 0 1
Crystal symmetry : 4
spatial translation :
0.000000000 0.000000000 0.000000000
spatial rotation :
-1 0 0
0 0 -1
0 1 0
global spin rotation :
1 0 0
0 1 0
0 0 1
Crystal symmetry : 5
spatial translation :
0.000000000 0.000000000 0.000000000
spatial rotation :
-1 0 0
0 0 1
0 -1 0
global spin rotation :
1 0 0
0 1 0
0 0 1
Crystal symmetry : 6
spatial translation :
0.000000000 0.000000000 0.000000000
spatial rotation :
-1 0 0
0 0 1
0 1 0
global spin rotation :
1 0 0
0 1 0
0 0 1
Crystal symmetry : 7
spatial translation :
0.000000000 0.000000000 0.000000000
spatial rotation :
-1 0 0
0 1 0
0 0 -1
global spin rotation :
1 0 0
0 1 0
0 0 1
Crystal symmetry : 8
spatial translation :
0.000000000 0.000000000 0.000000000
spatial rotation :
-1 0 0
0 1 0
0 0 1
global spin rotation :
1 0 0
0 1 0
0 0 1
Crystal symmetry : 9
spatial translation :
0.000000000 0.000000000 0.000000000
spatial rotation :
0 -1 0
-1 0 0
0 0 -1
global spin rotation :
1 0 0
0 1 0
0 0 1
Crystal symmetry : 10
spatial translation :
0.000000000 0.000000000 0.000000000
spatial rotation :
0 -1 0
-1 0 0
0 0 1
global spin rotation :
1 0 0
0 1 0
0 0 1
Crystal symmetry : 11
spatial translation :
0.000000000 0.000000000 0.000000000
spatial rotation :
0 -1 0
0 0 -1
-1 0 0
global spin rotation :
1 0 0
0 1 0
0 0 1
Crystal symmetry : 12
spatial translation :
0.000000000 0.000000000 0.000000000
spatial rotation :
0 -1 0
0 0 -1
1 0 0
global spin rotation :
1 0 0
0 1 0
0 0 1
Crystal symmetry : 13
spatial translation :
0.000000000 0.000000000 0.000000000
spatial rotation :
0 -1 0
0 0 1
-1 0 0
global spin rotation :
1 0 0
0 1 0
0 0 1
Crystal symmetry : 14
spatial translation :
0.000000000 0.000000000 0.000000000
spatial rotation :
0 -1 0
0 0 1
1 0 0
global spin rotation :
1 0 0
0 1 0
0 0 1
Crystal symmetry : 15
spatial translation :
0.000000000 0.000000000 0.000000000
spatial rotation :
0 -1 0
1 0 0
0 0 -1
global spin rotation :
1 0 0
0 1 0
0 0 1
Crystal symmetry : 16
spatial translation :
0.000000000 0.000000000 0.000000000
spatial rotation :
0 -1 0
1 0 0
0 0 1
global spin rotation :
1 0 0
0 1 0
0 0 1
Crystal symmetry : 17
spatial translation :
0.000000000 0.000000000 0.000000000
spatial rotation :
0 0 -1
-1 0 0
0 -1 0
global spin rotation :
1 0 0
0 1 0
0 0 1
Crystal symmetry : 18
spatial translation :
0.000000000 0.000000000 0.000000000
spatial rotation :
0 0 -1
-1 0 0
0 1 0
global spin rotation :
1 0 0
0 1 0
0 0 1
Crystal symmetry : 19
spatial translation :
0.000000000 0.000000000 0.000000000
spatial rotation :
0 0 -1
0 -1 0
-1 0 0
global spin rotation :
1 0 0
0 1 0
0 0 1
Crystal symmetry : 20
spatial translation :
0.000000000 0.000000000 0.000000000
spatial rotation :
0 0 -1
0 -1 0
1 0 0
global spin rotation :
1 0 0
0 1 0
0 0 1
Crystal symmetry : 21
spatial translation :
0.000000000 0.000000000 0.000000000
spatial rotation :
0 0 -1
0 1 0
-1 0 0
global spin rotation :
1 0 0
0 1 0
0 0 1
Crystal symmetry : 22
spatial translation :
0.000000000 0.000000000 0.000000000
spatial rotation :
0 0 -1
0 1 0
1 0 0
global spin rotation :
1 0 0
0 1 0
0 0 1
Crystal symmetry : 23
spatial translation :
0.000000000 0.000000000 0.000000000
spatial rotation :
0 0 -1
1 0 0
0 -1 0
global spin rotation :
1 0 0
0 1 0
0 0 1
Crystal symmetry : 24
spatial translation :
0.000000000 0.000000000 0.000000000
spatial rotation :
0 0 -1
1 0 0
0 1 0
global spin rotation :
1 0 0
0 1 0
0 0 1
Crystal symmetry : 25
spatial translation :
0.000000000 0.000000000 0.000000000
spatial rotation :
0 0 1
-1 0 0
0 -1 0
global spin rotation :
1 0 0
0 1 0
0 0 1
Crystal symmetry : 26
spatial translation :
0.000000000 0.000000000 0.000000000
spatial rotation :
0 0 1
-1 0 0
0 1 0
global spin rotation :
1 0 0
0 1 0
0 0 1
Crystal symmetry : 27
spatial translation :
0.000000000 0.000000000 0.000000000
spatial rotation :
0 0 1
0 -1 0
-1 0 0
global spin rotation :
1 0 0
0 1 0
0 0 1
Crystal symmetry : 28
spatial translation :
0.000000000 0.000000000 0.000000000
spatial rotation :
0 0 1
0 -1 0
1 0 0
global spin rotation :
1 0 0
0 1 0
0 0 1
Crystal symmetry : 29
spatial translation :
0.000000000 0.000000000 0.000000000
spatial rotation :
0 0 1
0 1 0
-1 0 0
global spin rotation :
1 0 0
0 1 0
0 0 1
Crystal symmetry : 30
spatial translation :
0.000000000 0.000000000 0.000000000
spatial rotation :
0 0 1
0 1 0
1 0 0
global spin rotation :
1 0 0
0 1 0
0 0 1
Crystal symmetry : 31
spatial translation :
0.000000000 0.000000000 0.000000000
spatial rotation :
0 0 1
1 0 0
0 -1 0
global spin rotation :
1 0 0
0 1 0
0 0 1
Crystal symmetry : 32
spatial translation :
0.000000000 0.000000000 0.000000000
spatial rotation :
0 0 1
1 0 0
0 1 0
global spin rotation :
1 0 0
0 1 0
0 0 1
Crystal symmetry : 33
spatial translation :
0.000000000 0.000000000 0.000000000
spatial rotation :
0 1 0
-1 0 0
0 0 -1
global spin rotation :
1 0 0
0 1 0
0 0 1
Crystal symmetry : 34
spatial translation :
0.000000000 0.000000000 0.000000000
spatial rotation :
0 1 0
-1 0 0
0 0 1
global spin rotation :
1 0 0
0 1 0
0 0 1
Crystal symmetry : 35
spatial translation :
0.000000000 0.000000000 0.000000000
spatial rotation :
0 1 0
0 0 -1
-1 0 0
global spin rotation :
1 0 0
0 1 0
0 0 1
Crystal symmetry : 36
spatial translation :
0.000000000 0.000000000 0.000000000
spatial rotation :
0 1 0
0 0 -1
1 0 0
global spin rotation :
1 0 0
0 1 0
0 0 1
Crystal symmetry : 37
spatial translation :
0.000000000 0.000000000 0.000000000
spatial rotation :
0 1 0
0 0 1
-1 0 0
global spin rotation :
1 0 0
0 1 0
0 0 1
Crystal symmetry : 38
spatial translation :
0.000000000 0.000000000 0.000000000
spatial rotation :
0 1 0
0 0 1
1 0 0
global spin rotation :
1 0 0
0 1 0
0 0 1
Crystal symmetry : 39
spatial translation :
0.000000000 0.000000000 0.000000000
spatial rotation :
0 1 0
1 0 0
0 0 -1
global spin rotation :
1 0 0
0 1 0
0 0 1
Crystal symmetry : 40
spatial translation :
0.000000000 0.000000000 0.000000000
spatial rotation :
0 1 0
1 0 0
0 0 1
global spin rotation :
1 0 0
0 1 0
0 0 1
Crystal symmetry : 41
spatial translation :
0.000000000 0.000000000 0.000000000
spatial rotation :
1 0 0
0 -1 0
0 0 -1
global spin rotation :
1 0 0
0 1 0
0 0 1
Crystal symmetry : 42
spatial translation :
0.000000000 0.000000000 0.000000000
spatial rotation :
1 0 0
0 -1 0
0 0 1
global spin rotation :
1 0 0
0 1 0
0 0 1
Crystal symmetry : 43
spatial translation :
0.000000000 0.000000000 0.000000000
spatial rotation :
1 0 0
0 0 -1
0 -1 0
global spin rotation :
1 0 0
0 1 0
0 0 1
Crystal symmetry : 44
spatial translation :
0.000000000 0.000000000 0.000000000
spatial rotation :
1 0 0
0 0 -1
0 1 0
global spin rotation :
1 0 0
0 1 0
0 0 1
Crystal symmetry : 45
spatial translation :
0.000000000 0.000000000 0.000000000
spatial rotation :
1 0 0
0 0 1
0 -1 0
global spin rotation :
1 0 0
0 1 0
0 0 1
Crystal symmetry : 46
spatial translation :
0.000000000 0.000000000 0.000000000
spatial rotation :
1 0 0
0 0 1
0 1 0
global spin rotation :
1 0 0
0 1 0
0 0 1
Crystal symmetry : 47
spatial translation :
0.000000000 0.000000000 0.000000000
spatial rotation :
1 0 0
0 1 0
0 0 -1
global spin rotation :
1 0 0
0 1 0
0 0 1
Crystal symmetry : 48
spatial translation :
0.000000000 0.000000000 0.000000000
spatial rotation :
-1 0 0
0 -1 0
0 0 1
global spin rotation :
1 0 0
0 1 0
0 0 1
Reference in New Issue Copy Permalink