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Merge branch 'rehnd-master' into develop

This commit is contained in:
Atsushi Togo 2018-05-27 17:50:42 +09:00
parent 7c87c8f248 2768c47272
commit 8b1f38408f
18 changed files with 17224 additions and 43 deletions
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344
phonopy/phonon/irreps.py
View File

@ -62,8 +62,16 @@ character_table = {
( 0, 0,-1 )),)}}],
# C2 (3)
'2': None,
'2':
[{'rotation_list': ('E', 'C2'),
'character_table': {'A' : (1, 1),
'B' : (1, -1)},
'mapping_table': {'E' : ((( 1, 0, 0 ),
( 0, 1, 0 ),
( 0, 0, 1 )),),
'C2': (((-1, 0, 0 ),
( 0, 1, 0 ),
( 0, 0,-1 )),)}}],
# C1v = Cs = C1h (4)
'm':
[{'rotation_list': ('E', 'sgh'),
@ -207,7 +215,7 @@ character_table = {
'S4': ((( 0, 1, 0 ),
(-1, 0, 0 ),
( 0, 0,-1 )),
(( 0,-1, 0 ),
(( 0,-1, 0 ),
( 1, 0, 0 ),
( 0, 0,-1 )),)}}],
@ -238,7 +246,7 @@ character_table = {
'S4' : ((( 0, 1, 0 ),
(-1, 0, 0 ),
( 0, 0, -1 ),),
(( 0,-1, 0 ),
(( 0,-1, 0 ),
( 1, 0, 0 ),
( 0, 0,-1 )),),
'sgh': ((( 1, 0, 0 ),
@ -325,7 +333,7 @@ character_table = {
'S4' : ((( 0, 1, 0 ),
(-1, 0, 0 ),
( 0, 0,-1 )),
(( 0,-1, 0 ),
(( 0,-1, 0 ),
( 1, 0, 0 ),
( 0, 0,-1 )),),
'C2z' : (((-1, 0, 0 ),
@ -355,7 +363,7 @@ character_table = {
'S4' : ((( 0, 1, 0 ),
(-1, 0, 0 ),
( 0, 0,-1 )),
(( 0,-1, 0 ),
(( 0,-1, 0 ),
( 1, 0, 0 ),
( 0, 0,-1 )),),
'C2z' : (((-1, 0, 0 ),
@ -504,7 +512,29 @@ character_table = {
( 0, 0,-1 )),)}}],
# C3v (19)
'3m': None,
'3m':
[{'rotation_list': ('E', 'C3', 'sgv'),
'character_table': {'A1': (1, 1, 1),
'A2': (1, 1,-1),
'E' : (2,-1, 0)},
'mapping_table': {'E' : ((( 1, 0, 0),
( 0, 1, 0),
( 0, 0, 1)),),
'C3' : ((( 0,-1, 0),
( 1,-1, 0),
( 0, 0, 1)),
((-1, 1, 0),
(-1, 0, 0),
( 0, 0, 1)),),
'sgv' : ((( 0,-1, 0),
(-1, 0, 0),
( 0, 0, 1)),
((-1, 1, 0),
( 0, 1, 0),
( 0, 0, 1)),
(( 1, 0, 0),
( 1,-1, 0),
( 0, 0, 1)),)}}],
# D3d (20)
'-3m':
@ -553,10 +583,56 @@ character_table = {
( 0, 0, 1 )),)}}],
# C6 (21)
'6': None,
'6':
[{'rotation_list': ('E', 'C6', 'C3', 'C2'),
'character_table': {'A' : ( 1, 1, 1, 1),
'B' : ( 1,-1, 1,-1),
'E1': ( 2, 1,-1,-2),
'E2': ( 2,-1,-1, 2)},
'mapping_table': {'E' : ((( 1, 0, 0),
( 0, 1, 0),
( 0, 0, 1)),),
'C6' : ((( 1,-1, 0),
( 1, 0, 0),
( 0, 0, 1)),
(( 0, 1, 0),
(-1, 1, 0),
( 0, 0, 1)),),
'C3' : ((( 0,-1, 0),
( 1,-1, 0),
( 0, 0, 1)),
((-1, 1, 0),
(-1, 0, 0),
( 0, 0, 1)),),
'C2' : (((-1, 0, 0),
( 0,-1, 0),
( 0, 0, 1)),)}}],
# C3h (22)
'-6': None,
'-6':
[{'rotation_list': ('E', 'C3', 'sgh', 'S3'),
'character_table': {'A\'' : ( 1, 1, 1, 1),
'E\'' : ( 2,-1, 2,-1),
'A\'\'' : ( 1, 1,-1,-1),
'E\'\'' : ( 2,-1,-2, 1)},
'mapping_table': {'E' : ((( 1, 0, 0),
( 0, 1, 0),
( 0, 0, 1)),),
'C3' : ((( 0,-1, 0),
( 1,-1, 0),
( 0, 0, 1)),
((-1, 1, 0),
(-1, 0, 0),
( 0, 0, 1)),),
'sgh' : ((( 1, 0, 0),
( 0, 1, 0),
( 0, 0,-1)),),
'S3' : (((-1, 1, 0),
(-1, 0, 0),
( 0, 0,-1)),
(( 0,-1, 0),
( 1,-1, 0),
( 0, 0,-1)),)}}],
# C6h (23)
'6/m':
@ -607,7 +683,50 @@ character_table = {
( 0, 0,-1 )),)}}],
# D6 (24)
'622': None,
'622':
[{'rotation_list': ('E', 'C6', 'C3', 'C2', 'C2\'', 'C2\'\''),
'character_table': {'A1' : ( 1, 1, 1, 1, 1, 1),
'A2' : ( 1, 1, 1, 1,-1,-1),
'B1' : ( 1,-1, 1,-1, 1,-1),
'B2' : ( 1,-1, 1,-1,-1, 1),
'E1' : ( 2, 1,-1,-2, 0, 0),
'E2' : ( 2,-1,-1, 2, 0, 0)},
'mapping_table': { 'E' : ((( 1, 0, 0),
( 0, 1, 0),
( 0, 0, 1)),),
'C6' : ((( 1,-1, 0),
( 1, 0, 0),
( 0, 0, 1)),
(( 0, 1, 0),
(-1, 1, 0),
( 0, 0, 1)),),
'C3' : ((( 0,-1, 0),
( 1,-1, 0),
( 0, 0, 1)),
((-1, 1, 0),
(-1, 0, 0),
( 0, 0, 1)),),
'C2' : (((-1, 0, 0),
( 0,-1, 0),
( 0, 0, 1)),),
'C2\'' : ((( 0, 1, 0),
( 1, 0, 0),
( 0, 0,-1)),
(( 1,-1, 0),
( 0,-1, 0),
( 0, 0,-1)),
((-1, 0, 0),
(-1, 1, 0),
( 0, 0,-1)),),
'C2\'\'' : ((( 0,-1, 0),
(-1, 0, 0),
( 0, 0,-1)),
((-1, 1, 0),
( 0, 1, 0),
( 0, 0,-1)),
(( 1, 0, 0),
( 1,-1, 0),
( 0, 0,-1)),)}}],
# C6v (25)
'6mm':
@ -791,13 +910,210 @@ character_table = {
( 0, 0, 1 )),)}}],
# T (28)
'23': None,
'23':
[{'rotation_list': ('E', 'C3', 'C2'),
'character_table': {'A' : (1, 1, 1),
'E' : (2,-1, 2),
'T' : (3, 0,-1)},
'mapping_table': {'E' : ((( 1, 0, 0),
( 0, 1, 0),
( 0, 0, 1)),),
'C3' : ((( 0, 0, 1),
( 1, 0, 0),
( 0, 1, 0)),
(( 0, 0, 1),
(-1, 0, 0),
( 0,-1, 0)),
(( 0, 0,-1),
(-1, 0, 0),
( 0, 1, 0)),
(( 0, 0,-1),
( 1, 0, 0),
( 0,-1, 0)),
(( 0, 1, 0),
( 0, 0, 1),
( 1, 0, 0)),
(( 0,-1, 0),
( 0, 0, 1),
(-1, 0, 0)),
(( 0, 1, 0),
( 0, 0,-1),
(-1, 0, 0)),
(( 0,-1, 0),
( 0, 0,-1),
( 1, 0, 0)),),
'C2' : (((-1, 0, 0),
( 0,-1, 0),
( 0, 0, 1)),
((-1, 0, 0),
( 0, 1, 0),
( 0, 0,-1)),
(( 1, 0, 0),
( 0,-1, 0),
( 0, 0,-1)),)}}],
# Th (29)
'm-3': None,
'm-3':
[{'rotation_list': ('E', 'C3', 'C2', 'i', 'S6', 'sgh'),
'character_table': {'Ag' : ( 1, 1, 1, 1, 1, 1),
'Au' : ( 1, 1, 1,-1,-1,-1),
'Eg' : ( 2,-1, 2, 2,-1, 2),
'Eu' : ( 2,-1, 2,-2, 1,-2),
'Tg' : ( 3, 0,-1, 3, 0,-1),
'Tu' : ( 3, 0,-1,-3, 0, 1)},
'mapping_table': {'E' : ((( 1, 0, 0),
( 0, 1, 0),
( 0, 0, 1)),),
'C3' : ((( 0, 0, 1),
( 1, 0, 0),
( 0, 1, 0)),
(( 0, 0, 1),
(-1, 0, 0),
( 0,-1, 0)),
(( 0, 0,-1),
(-1, 0, 0),
( 0, 1, 0)),
(( 0, 0,-1),
( 1, 0, 0),
( 0,-1, 0)),
(( 0, 1, 0),
( 0, 0, 1),
( 1, 0, 0)),
(( 0,-1, 0),
( 0, 0, 1),
(-1, 0, 0)),
(( 0, 1, 0),
( 0, 0,-1),
(-1, 0, 0)),
(( 0,-1, 0),
( 0, 0,-1),
( 1, 0, 0)),),
'C2' : (((-1, 0, 0),
( 0,-1, 0),
( 0, 0, 1)),
((-1, 0, 0),
( 0, 1, 0),
( 0, 0,-1)),
(( 1, 0, 0),
( 0,-1, 0),
( 0, 0,-1)),),
'i' : (((-1, 0, 0),
( 0,-1, 0),
( 0, 0,-1)),),
'S6' : ((( 0, 0,-1),
(-1, 0, 0),
( 0,-1, 0)),
(( 0, 0,-1),
( 1, 0, 0),
( 0, 1, 0)),
(( 0, 0, 1),
( 1, 0, 0),
( 0,-1, 0)),
(( 0, 0, 1),
(-1, 0, 0),
( 0, 1, 0)),
(( 0,-1, 0),
( 0, 0,-1),
(-1, 0, 0)),
(( 0, 1, 0),
( 0, 0,-1),
( 1, 0, 0)),
(( 0,-1, 0),
( 0, 0, 1),
( 1, 0, 0)),
(( 0, 1, 0),
( 0, 0, 1),
(-1, 0, 0)),),
'sgh': ((( 1, 0, 0),
( 0, 1, 0),
( 0, 0,-1)),
(( 1, 0, 0),
( 0,-1, 0),
( 0, 0, 1)),
((-1, 0, 0),
( 0, 1, 0),
( 0, 0, 1)),)}}],
# O (30)
'432': None,
'432':
[{'rotation_list': ('E', 'C4', 'C2', 'C3', 'C2\''),
'character_table': {'A1' : ( 1, 1, 1, 1, 1),
'A2' : ( 1,-1, 1, 1,-1),
'E' : ( 2, 0, 2,-1, 0),
'T1' : ( 3, 1,-1, 0,-1),
'T2' : ( 3,-1,-1, 0, 1)},
'mapping_table': {'E' : ((( 1, 0, 0),
( 0, 1, 0),
( 0, 0, 1)),),
'C4' : ((( 0, 1, 0),
(-1, 0, 0),
( 0, 0, 1)),
(( 0,-1, 0),
( 1, 0, 0),
( 0, 0, 1)),
(( 1, 0, 0),
( 0, 0, 1),
( 0,-1, 0)),
(( 1, 0, 0),
( 0, 0,-1),
( 0, 1, 0)),
(( 0, 0, 1),
( 0, 1, 0),
(-1, 0, 0)),
(( 0, 0,-1),
( 0, 1, 0),
( 1, 0, 0)),),
'C2' : (((-1, 0, 0),
( 0,-1, 0),
( 0, 0, 1)),
((-1, 0, 0),
( 0, 1, 0),
( 0, 0,-1)),
(( 1, 0, 0),
( 0,-1, 0),
( 0, 0,-1)),),
'C3' : ((( 0, 0, 1),
( 1, 0, 0),
( 0, 1, 0)),
(( 0, 0, 1),
(-1, 0, 0),
( 0,-1, 0)),
(( 0, 0,-1),
(-1, 0, 0),
( 0, 1, 0)),
(( 0, 0,-1),
( 1, 0, 0),
( 0,-1, 0)),
(( 0, 1, 0),
( 0, 0, 1),
( 1, 0, 0)),
(( 0,-1, 0),
( 0, 0, 1),
(-1, 0, 0)),
(( 0, 1, 0),
( 0, 0,-1),
(-1, 0, 0)),
(( 0,-1, 0),
( 0, 0,-1),
( 1, 0, 0)),),
'C2\'': ((( 0,-1, 0),
(-1, 0, 0),
( 0, 0,-1)),
(( 0, 1, 0),
( 1, 0, 0),
( 0, 0,-1)),
((-1, 0, 0),
( 0, 0, 1),
( 0, 1, 0)),
((-1, 0, 0),
( 0, 0,-1),
( 0,-1, 0)),
(( 0, 0, 1),
( 0,-1, 0),
( 1, 0, 0)),
(( 0, 0,-1),
( 0,-1, 0),
(-1, 0, 0)),)}}],
# Td (31)
'-43m':
@ -893,7 +1209,7 @@ character_table = {
'A2u': ( 1, 1,-1,-1, 1,-1, 1,-1,-1, 1 ),
'Eu' : ( 2,-1, 0, 0, 2,-2, 0, 1,-2, 0 ),
'T1u': ( 3, 0,-1, 1,-1,-3,-1, 0, 1, 1 ),
'T2u': ( 3, 0, 1,-1,-1,-3, 1, 0, 1,-1 ) },
'T2u': ( 3, 0, 1,-1,-1,-3, 1, 0, 1,-1 )},
'mapping_table': {'E' : ((( 1, 0, 0 ),
( 0, 1, 0 ),
( 0, 0, 1 )),),

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test/phonopy/phonon/FORCE_SETS_P-6 Normal file
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test/phonopy/phonon/FORCE_SETS_P2 Normal file
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test/phonopy/phonon/FORCE_SETS_P2_13 Normal file
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@ -0,0 +1,596 @@
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test/phonopy/phonon/POSCAR_P3m1 Normal file
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test/phonopy/phonon/POSCAR_P6 Normal file
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414
test/phonopy/phonon/test_irreps.py
View File

@ -12,6 +12,43 @@ from phonopy.file_IO import parse_FORCE_SETS
data_dir = os.path.dirname(os.path.abspath(__file__))
chars_P2 = """ 1. 0. 1. 0.
1. 0. -1. 0.
1. 0. -1. 0.
1. 0. 1. 0.
1. 0. -1. 0.
1. 0. -1. 0.
1. 0. -1. 0.
1. 0. -1. 0.
1. 0. 1. 0.
1. 0. -1. 0.
1. 0. -1. 0.
1. 0. -1. 0.
1. 0. 1. 0.
1. 0. 1. 0.
1. 0. -1. 0.
1. 0. 1. 0.
1. 0. -1. 0.
1. 0. -1. 0.
1. 0. 1. 0.
1. 0. -1. 0.
1. 0. 1. 0.
1. 0. 1. 0.
1. 0. -1. 0.
1. 0. 1. 0.
1. 0. -1. 0.
1. 0. -1. 0.
1. 0. 1. 0.
1. 0. -1. 0.
1. 0. -1. 0.
1. 0. 1. 0.
1. 0. 1. 0.
1. 0. -1. 0.
1. 0. 1. 0.
1. 0. -1. 0.
1. 0. 1. 0.
1. 0. 1. 0."""
chars_Pc = """ 1. 0. -1. 0.
1. 0. 1. 0.
1. 0. 1. 0.
@ -345,6 +382,15 @@ chars_Pbar42_1m = """ 1. 0. -1. 0. 1. 0. -1. 0. -1. 0. 1. 0. -1. 0. 1.
2. 0. 0. 0. -2. 0. 0. 0. -0. 0. 0. 0. 0. 0. -0. 0.
1. 0. -1. 0. 1. 0. -1. 0. -1. 0. 1. 0. -1. 0. 1. 0."""
chars_P3m1 = """ 2. 0. -1. 0. -1. 0. -0. 0. 0. 0. -0. 0.
1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0.
2. 0. -1. 0. -1. 0. -0. 0. 0. 0. -0. 0.
1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0.
2. 0. -1. 0. -1. 0. 0. 0. -0. 0. 0. 0.
2. 0. -1. 0. -1. 0. -0. 0. 0. 0. 0. 0.
1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0.
1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0."""
chars_Pbar3m1 = """ 2. 0. -2. 0. -1. 0. 1. 0. -1. 0. 1. 0. -0. 0. 0. 0. 0. 0. -0. 0. 0. 0. -0. 0.
1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0.
2. 0. 2. 0. -1. 0. -1. 0. -1. 0. -1. 0. -0. 0. -0. 0. 0. 0. 0. 0. 0. 0. 0. 0.
@ -356,6 +402,141 @@ chars_Pbar3m1 = """ 2. 0. -2. 0. -1. 0. 1. 0. -1. 0. 1. 0. -0. 0. 0.
1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0.
2. 0. 2. 0. -1. 0. -1. 0. -1. 0. -1. 0. -0. 0. -0. 0. -0. 0. -0. 0. 0. 0. 0. 0."""
chars_P6 = """ 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0.
2. 0. 1. 0. -1. 0. -2. 0. -1. 0. 1. 0.
1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0.
2. 0. -1. 0. -1. 0. 2. 0. -1. 0. -1. 0.
1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0.
2. 0. 1. 0. -1. 0. -2. 0. -1. 0. 1. 0.
1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0.
2. 0. 1. 0. -1. 0. -2. 0. -1. 0. 1. 0.
2. 0. -1. 0. -1. 0. 2. 0. -1. 0. -1. 0.
1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0.
1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0.
2. 0. -1. 0. -1. 0. 2. 0. -1. 0. -1. 0.
1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0.
1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0.
1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0.
2. 0. -1. 0. -1. 0. 2. 0. -1. 0. -1. 0.
2. 0. 1. 0. -1. 0. -2. 0. -1. 0. 1. 0.
2. 0. 1. 0. -1. 0. -2. 0. -1. 0. 1. 0.
1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0.
1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0.
2. 0. -1. 0. -1. 0. 2. 0. -1. 0. -1. 0.
2. 0. 1. 0. -1. 0. -2. 0. -1. 0. 1. 0.
1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0.
2. 0. -1. 0. -1. 0. 2. 0. -1. 0. -1. 0.
1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0.
1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0.
2. 0. 1. 0. -1. 0. -2. 0. -1. 0. 1. 0.
2. 0. -1. 0. -1. 0. 2. 0. -1. 0. -1. 0.
2. 0. 1. 0. -1. 0. -2. 0. -1. 0. 1. 0.
1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0.
2. 0. -1. 0. -1. 0. 2. 0. -1. 0. -1. 0.
1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0.
1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0.
2. 0. -1. 0. -1. 0. 2. 0. -1. 0. -1. 0.
1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0.
2. 0. 1. 0. -1. 0. -2. 0. -1. 0. 1. 0.
2. 0. 1. 0. -1. 0. -2. 0. -1. 0. 1. 0.
2. 0. -1. 0. -1. 0. 2. 0. -1. 0. -1. 0.
1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0.
1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0.
1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0.
1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0.
2. 0. -1. 0. -1. 0. 2. 0. -1. 0. -1. 0.
2. 0. 1. 0. -1. 0. -2. 0. -1. 0. 1. 0.
1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0.
2. 0. -1. 0. -1. 0. 2. 0. -1. 0. -1. 0.
2. 0. 1. 0. -1. 0. -2. 0. -1. 0. 1. 0.
1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0.
1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0.
2. 0. -1. 0. -1. 0. 2. 0. -1. 0. -1. 0.
1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0.
2. 0. 1. 0. -1. 0. -2. 0. -1. 0. 1. 0.
2. 0. -1. 0. -1. 0. 2. 0. -1. 0. -1. 0.
1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0.
2. 0. 1. 0. -1. 0. -2. 0. -1. 0. 1. 0.
1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0.
1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0.
1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0.
2. 0. -1. 0. -1. 0. 2. 0. -1. 0. -1. 0.
2. 0. 1. 0. -1. 0. -2. 0. -1. 0. 1. 0."""
chars_Pbar6 = """ 2. 0. -1. 0. -1. 0. 2. 0. -1. 0. -1. 0.
1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0.
2. 0. 1. 0. -1. 0. -2. 0. -1. 0. 1. 0.
1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0.
1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0.
2. 0. -1. 0. -1. 0. 2. 0. -1. 0. -1. 0.
2. 0. 1. 0. -1. 0. -2. 0. -1. 0. 1. 0.
1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0.
1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0.
2. 0. 1. 0. -1. 0. -2. 0. -1. 0. 1. 0.
2. 0. -1. 0. -1. 0. 2. 0. -1. 0. -1. 0.
1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0.
2. 0. 1. 0. -1. 0. -2. 0. -1. 0. 1. 0.
2. 0. -1. 0. -1. 0. 2. 0. -1. 0. -1. 0.
1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0.
2. 0. -1. 0. -1. 0. 2. 0. -1. 0. -1. 0.
1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0.
1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0.
1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0.
2. 0. 1. 0. -1. 0. -2. 0. -1. 0. 1. 0.
2. 0. -1. 0. -1. 0. 2. 0. -1. 0. -1. 0.
2. 0. -1. 0. -1. 0. 2. 0. -1. 0. -1. 0.
1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0.
1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0.
2. 0. -1. 0. -1. 0. 2. 0. -1. 0. -1. 0.
2. 0. -1. 0. -1. 0. 2. 0. -1. 0. -1. 0.
2. 0. -1. 0. -1. 0. 2. 0. -1. 0. -1. 0.
1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0.
1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0.
1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0.
1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0.
1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0.
1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0.
2. 0. -1. 0. -1. 0. 2. 0. -1. 0. -1. 0.
2. 0. -1. 0. -1. 0. 2. 0. -1. 0. -1. 0.
2. 0. -1. 0. -1. 0. 2. 0. -1. 0. -1. 0."""
chars_P6_222 = """ 2. 0. 1. 0. -1. 0. -2. 0. -1. 0. 1. 0. 0. 0. -0. 0. -0. 0. -0. 0. 0. 0. 0. 0.
1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. -1. 0. -1. 0. -1. 0. -1. 0. -1. 0. -1. 0.
1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0.
1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. -1. 0. -1. 0. -1. 0. -1. 0. -1. 0. -1. 0.
1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0.
2. 0. 1. 0. -1. 0. -2. 0. -1. 0. 1. 0. 0. 0. -0. 0. 0. 0. -0. 0. 0. 0. -0. 0.
1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0.
2. 0. -1. 0. -1. 0. 2. 0. -1. 0. -1. 0. -0. 0. -0. 0. 0. 0. -0. 0. -0. 0. 0. 0.
2. 0. 1. 0. -1. 0. -2. 0. -1. 0. 1. 0. -0. 0. -0. 0. 0. 0. 0. 0. 0. 0. -0. 0.
2. 0. 1. 0. -1. 0. -2. 0. -1. 0. 1. 0. -0. 0. -0. 0. -0. 0. 0. 0. 0. 0. 0. 0.
2. 0. -1. 0. -1. 0. 2. 0. -1. 0. -1. 0. -0. 0. -0. 0. 0. 0. -0. 0. -0. 0. 0. 0.
1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0.
1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. -1. 0. -1. 0. -1. 0. -1. 0. -1. 0. -1. 0.
2. 0. -1. 0. -1. 0. 2. 0. -1. 0. -1. 0. 0. 0. -0. 0. -0. 0. 0. 0. -0. 0. 0. 0.
1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0.
2. 0. 1. 0. -1. 0. -2. 0. -1. 0. 1. 0. -0. 0. -0. 0. 0. 0. 0. 0. 0. 0. -0. 0.
2. 0. 1. 0. -1. 0. -2. 0. -1. 0. 1. 0. -0. 0. -0. 0. -0. 0. 0. 0. 0. 0. 0. 0.
1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0.
2. 0. -1. 0. -1. 0. 2. 0. -1. 0. -1. 0. 0. 0. -0. 0. -0. 0. 0. 0. -0. 0. -0. 0.
1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0.
1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0.
2. 0. -1. 0. -1. 0. 2. 0. -1. 0. -1. 0. 0. 0. -0. 0. -0. 0. 0. 0. -0. 0. -0. 0.
2. 0. 1. 0. -1. 0. -2. 0. -1. 0. 1. 0. -0. 0. 0. 0. 0. 0. 0. 0. -0. 0. -0. 0.
1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0.
1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0.
2. 0. 1. 0. -1. 0. -2. 0. -1. 0. 1. 0. 0. 0. -0. 0. 0. 0. -0. 0. 0. 0. 0. 0.
1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. -1. 0. -1. 0. -1. 0. -1. 0. -1. 0. -1. 0.
2. 0. -1. 0. -1. 0. 2. 0. -1. 0. -1. 0. 0. 0. 0. 0. -0. 0. 0. 0. 0. 0. -0. 0.
2. 0. -1. 0. -1. 0. 2. 0. -1. 0. -1. 0. -0. 0. 0. 0. 0. 0. -0. 0. 0. 0. 0. 0.
1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0.
1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0.
2. 0. 1. 0. -1. 0. -2. 0. -1. 0. 1. 0. 0. 0. 0. 0. -0. 0. -0. 0. -0. 0. 0. 0.
1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. -1. 0. -1. 0. -1. 0. -1. 0. -1. 0. -1. 0.
2. 0. 1. 0. -1. 0. -2. 0. -1. 0. 1. 0. -0. 0. -0. 0. 0. 0. 0. 0. 0. 0. -0. 0.
1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0.
2. 0. -1. 0. -1. 0. 2. 0. -1. 0. -1. 0. -0. 0. 0. 0. -0. 0. -0. 0. 0. 0. -0. 0."""
chars_Pbar6m2 = """ 2. 0. -1. 0. -1. 0. 2. 0. -1. 0. -1. 0. 0. 0. 0. 0. -0. 0. 0. 0. 0. 0. -0. 0.
1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0.
1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. -1. 0. -1. 0. -1. 0. -1. 0. -1. 0. -1. 0.
@ -371,6 +552,109 @@ chars_Pbar6m2 = """ 2. 0. -1. 0. -1. 0. 2. 0. -1. 0. -1. 0. 0. 0. 0.
1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0.
2. 0. -1. 0. -1. 0. 2. 0. -1. 0. -1. 0. -0. 0. -0. 0. 0. 0. -0. 0. -0. 0. 0. 0."""
chars_P2_13 = """ 3. 0. -1. 0. -1. 0. -1. 0. -0. 0. -0. 0. -0. 0. 0. 0. -0. 0. 0. 0. -0. 0. -0. 0.
2. 0. 2. 0. 2. 0. 2. 0. -1. 0. -1. 0. -1. 0. -1. 0. -1. 0. -1. 0. -1. 0. -1. 0.
1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0.
3. 0. -1. 0. -1. 0. -1. 0. -0. 0. 0. 0. -0. 0. 0. 0. -0. 0. 0. 0. 0. 0. -0. 0.
3. 0. -1. 0. -1. 0. -1. 0. 0. 0. 0. 0. 0. 0. -0. 0. 0. 0. -0. 0. 0. 0. 0. 0.
3. 0. -1. 0. -1. 0. -1. 0. -0. 0. -0. 0. 0. 0. 0. 0. -0. 0. 0. 0. -0. 0. 0. 0.
1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0.
3. 0. -1. 0. -1. 0. -1. 0. 0. 0. -0. 0. -0. 0. 0. 0. 0. 0. 0. 0. -0. 0. -0. 0.
2. 0. 2. 0. 2. 0. 2. 0. -1. 0. -1. 0. -1. 0. -1. 0. -1. 0. -1. 0. -1. 0. -1. 0.
3. 0. -1. 0. -1. 0. -1. 0. 0. 0. -0. 0. -0. 0. 0. 0. 0. 0. 0. 0. -0. 0. -0. 0.
1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0.
3. 0. -1. 0. -1. 0. -1. 0. -0. 0. 0. 0. -0. 0. -0. 0. -0. 0. -0. 0. 0. 0. -0. 0.
2. 0. 2. 0. 2. 0. 2. 0. -1. 0. -1. 0. -1. 0. -1. 0. -1. 0. -1. 0. -1. 0. -1. 0.
3. 0. -1. 0. -1. 0. -1. 0. 0. 0. -0. 0. -0. 0. 0. 0. 0. 0. 0. 0. -0. 0. 0. 0.
3. 0. -1. 0. -1. 0. -1. 0. 0. 0. -0. 0. 0. 0. -0. 0. 0. 0. -0. 0. -0. 0. 0. 0."""
chars_Pabar3 = """ 3. 0. -3. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -0. 0. 0. 0. -0. 0. 0. 0. 0. 0. -0. 0. 0. 0. -0. 0. -0. 0. 0. 0. 0. 0. -0. 0. -0. 0. 0. 0. 0. 0. -0. 0.
1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0.
3. 0. -3. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. 0. 0. -0. 0. 0. 0. -0. 0. -0. 0. 0. 0. -0. 0. 0. 0. 0. 0. -0. 0. -0. 0. 0. 0. 0. 0. -0. 0. -0. 0. 0. 0.
2. 0. -2. 0. 2. 0. -2. 0. 2. 0. -2. 0. 2. 0. -2. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0.
3. 0. -3. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. 0. 0. -0. 0. -0. 0. 0. 0. -0. 0. 0. 0. 0. 0. -0. 0. 0. 0. -0. 0. 0. 0. -0. 0. -0. 0. 0. 0. -0. 0. 0. 0.
1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0.
2. 0. 2. 0. 2. 0. 2. 0. 2. 0. 2. 0. 2. 0. 2. 0. -1. 0. -1. 0. -1. 0. -1. 0. -1. 0. -1. 0. -1. 0. -1. 0. -1. 0. -1. 0. -1. 0. -1. 0. -1. 0. -1. 0. -1. 0. -1. 0.
3. 0. 3. 0. -1. 0. -1. 0. -1. 0. -1. 0. -1. 0. -1. 0. -0. 0. -0. 0. -0. 0. -0. 0. 0. 0. 0. 0. 0. 0. 0. 0. -0. 0. -0. 0. 0. 0. 0. 0. -0. 0. -0. 0. 0. 0. 0. 0.
3. 0. -3. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. 0. 0. -0. 0. 0. 0. -0. 0. -0. 0. 0. 0. -0. 0. 0. 0. 0. 0. -0. 0. -0. 0. 0. 0. 0. 0. -0. 0. -0. 0. 0. 0.
1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0.
3. 0. -3. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. 0. 0. -0. 0. 0. 0. -0. 0. 0. 0. -0. 0. -0. 0. 0. 0. 0. 0. 0. 0. -0. 0. 0. 0. 0. 0. -0. 0. 0. 0. 0. 0.
2. 0. -2. 0. 2. 0. -2. 0. 2. 0. -2. 0. 2. 0. -2. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0.
3. 0. 3. 0. -1. 0. -1. 0. -1. 0. -1. 0. -1. 0. -1. 0. 0. 0. 0. 0. 0. 0. 0. 0. -0. 0. -0. 0. -0. 0. -0. 0. 0. 0. 0. 0. -0. 0. -0. 0. 0. 0. 0. 0. -0. 0. -0. 0.
3. 0. -3. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. 0. 0. -0. 0. -0. 0. 0. 0. 0. 0. -0. 0. -0. 0. 0. 0. 0. 0. -0. 0. -0. 0. 0. 0. -0. 0. 0. 0. 0. 0. -0. 0.
3. 0. 3. 0. -1. 0. -1. 0. -1. 0. -1. 0. -1. 0. -1. 0. -0. 0. -0. 0. -0. 0. -0. 0. 0. 0. 0. 0. 0. 0. 0. 0. -0. 0. -0. 0. 0. 0. 0. 0. -0. 0. -0. 0. 0. 0. 0. 0."""
chars_P4_332 = """ 3. 0. 1. 0. -1. 0. 1. 0. -1. 0. -1. 0. -1. 0. -1. 0. 0. 0. -1. 0. -0. 0. 1. 0. -0. 0. -1. 0. 0. 0. 1. 0. 0. 0. 1. 0. 0. 0. -1. 0. -0. 0. -1. 0. -0. 0. 1. 0.
1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0.
2. 0. -0. 0. 2. 0. -0. 0. 2. 0. -0. 0. 2. 0. -0. 0. -1. 0. 0. 0. -1. 0. 0. 0. -1. 0. 0. 0. -1. 0. 0. 0. -1. 0. 0. 0. -1. 0. 0. 0. -1. 0. 0. 0. -1. 0. 0. 0.
3. 0. -1. 0. -1. 0. -1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -0. 0. 1. 0. -0. 0. -1. 0. 0. 0. 1. 0. 0. 0. -1. 0. -0. 0. -1. 0. 0. 0. 1. 0. -0. 0. 1. 0. 0. 0. -1. 0.
3. 0. 1. 0. -1. 0. 1. 0. -1. 0. -1. 0. -1. 0. -1. 0. -0. 0. -1. 0. -0. 0. 1. 0. 0. 0. -1. 0. 0. 0. 1. 0. -0. 0. 1. 0. 0. 0. -1. 0. -0. 0. -1. 0. 0. 0. 1. 0.
2. 0. -0. 0. 2. 0. -0. 0. 2. 0. -0. 0. 2. 0. -0. 0. -1. 0. 0. 0. -1. 0. 0. 0. -1. 0. 0. 0. -1. 0. 0. 0. -1. 0. 0. 0. -1. 0. 0. 0. -1. 0. 0. 0. -1. 0. 0. 0.
1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0.
3. 0. -1. 0. -1. 0. -1. 0. -1. 0. 1. 0. -1. 0. 1. 0. 0. 0. 1. 0. 0. 0. -1. 0. -0. 0. 1. 0. -0. 0. -1. 0. 0. 0. -1. 0. -0. 0. 1. 0. 0. 0. 1. 0. -0. 0. -1. 0.
2. 0. 0. 0. 2. 0. 0. 0. 2. 0. 0. 0. 2. 0. 0. 0. -1. 0. -0. 0. -1. 0. -0. 0. -1. 0. -0. 0. -1. 0. -0. 0. -1. 0. -0. 0. -1. 0. -0. 0. -1. 0. -0. 0. -1. 0. -0. 0.
3. 0. 1. 0. -1. 0. 1. 0. -1. 0. -1. 0. -1. 0. -1. 0. -0. 0. -1. 0. -0. 0. 1. 0. 0. 0. -1. 0. 0. 0. 1. 0. -0. 0. 1. 0. 0. 0. -1. 0. -0. 0. -1. 0. 0. 0. 1. 0.
3. 0. -1. 0. -1. 0. -1. 0. -1. 0. 1. 0. -1. 0. 1. 0. 0. 0. 1. 0. -0. 0. -1. 0. 0. 0. 1. 0. -0. 0. -1. 0. 0. 0. -1. 0. -0. 0. 1. 0. -0. 0. 1. 0. 0. 0. -1. 0.
3. 0. 1. 0. -1. 0. 1. 0. -1. 0. -1. 0. -1. 0. -1. 0. -0. 0. -1. 0. 0. 0. 1. 0. -0. 0. -1. 0. 0. 0. 1. 0. -0. 0. 1. 0. 0. 0. -1. 0. 0. 0. -1. 0. -0. 0. 1. 0.
1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0.
3. 0. 1. 0. -1. 0. 1. 0. -1. 0. -1. 0. -1. 0. -1. 0. 0. 0. -1. 0. -0. 0. 1. 0. -0. 0. -1. 0. -0. 0. 1. 0. 0. 0. 1. 0. -0. 0. -1. 0. -0. 0. -1. 0. -0. 0. 1. 0.
3. 0. -1. 0. -1. 0. -1. 0. -1. 0. 1. 0. -1. 0. 1. 0. 0. 0. 1. 0. -0. 0. -1. 0. 0. 0. 1. 0. -0. 0. -1. 0. 0. 0. -1. 0. -0. 0. 1. 0. -0. 0. 1. 0. 0. 0. -1. 0.
3. 0. -1. 0. -1. 0. -1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -0. 0. 1. 0. 0. 0. -1. 0. -0. 0. 1. 0. -0. 0. -1. 0. -0. 0. -1. 0. 0. 0. 1. 0. -0. 0. 1. 0. -0. 0. -1. 0.
3. 0. 1. 0. -1. 0. 1. 0. -1. 0. -1. 0. -1. 0. -1. 0. 0. 0. -1. 0. -0. 0. 1. 0. -0. 0. -1. 0. 0. 0. 1. 0. 0. 0. 1. 0. 0. 0. -1. 0. -0. 0. -1. 0. -0. 0. 1. 0.
3. 0. 1. 0. -1. 0. 1. 0. -1. 0. -1. 0. -1. 0. -1. 0. 0. 0. -1. 0. -0. 0. 1. 0. 0. 0. -1. 0. -0. 0. 1. 0. 0. 0. 1. 0. -0. 0. -1. 0. -0. 0. -1. 0. 0. 0. 1. 0.
2. 0. -0. 0. 2. 0. -0. 0. 2. 0. -0. 0. 2. 0. -0. 0. -1. 0. 0. 0. -1. 0. 0. 0. -1. 0. 0. 0. -1. 0. 0. 0. -1. 0. 0. 0. -1. 0. 0. 0. -1. 0. 0. 0. -1. 0. 0. 0.
3. 0. -1. 0. -1. 0. -1. 0. -1. 0. 1. 0. -1. 0. 1. 0. 0. 0. 1. 0. 0. 0. -1. 0. -0. 0. 1. 0. -0. 0. -1. 0. 0. 0. -1. 0. -0. 0. 1. 0. 0. 0. 1. 0. -0. 0. -1. 0.
2. 0. -0. 0. 2. 0. -0. 0. 2. 0. -0. 0. 2. 0. -0. 0. -1. 0. -0. 0. -1. 0. -0. 0. -1. 0. -0. 0. -1. 0. -0. 0. -1. 0. 0. 0. -1. 0. 0. 0. -1. 0. 0. 0. -1. 0. 0. 0.
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3. 0. -1. 0. -1. 0. -1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -0. 0. 1. 0. 0. 0. -1. 0. 0. 0. 1. 0. 0. 0. -1. 0. -0. 0. -1. 0. 0. 0. 1. 0. 0. 0. 1. 0. -0. 0. -1. 0.
3. 0. 1. 0. -1. 0. 1. 0. -1. 0. -1. 0. -1. 0. -1. 0. -0. 0. -1. 0. -0. 0. 1. 0. 0. 0. -1. 0. 0. 0. 1. 0. -0. 0. 1. 0. 0. 0. -1. 0. -0. 0. -1. 0. -0. 0. 1. 0.
3. 0. 1. 0. -1. 0. 1. 0. -1. 0. -1. 0. -1. 0. -1. 0. 0. 0. -1. 0. 0. 0. 1. 0. 0. 0. -1. 0. -0. 0. 1. 0. 0. 0. 1. 0. -0. 0. -1. 0. 0. 0. -1. 0. 0. 0. 1. 0.
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2. 0. -0. 0. 2. 0. -0. 0. 2. 0. -0. 0. 2. 0. -0. 0. -1. 0. 0. 0. -1. 0. 0. 0. -1. 0. 0. 0. -1. 0. 0. 0. -1. 0. 0. 0. -1. 0. 0. 0. -1. 0. 0. 0. -1. 0. 0. 0.
3. 0. -1. 0. -1. 0. -1. 0. -1. 0. 1. 0. -1. 0. 1. 0. 0. 0. 1. 0. -0. 0. -1. 0. 0. 0. 1. 0. 0. 0. -1. 0. 0. 0. -1. 0. 0. 0. 1. 0. -0. 0. 1. 0. 0. 0. -1. 0.
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2. 0. 0. 0. 2. 0. 0. 0. 2. 0. -0. 0. 2. 0. -0. 0. -1. 0. -0. 0. -1. 0. -0. 0. -1. 0. -0. 0. -1. 0. -0. 0. -1. 0. 0. 0. -1. 0. 0. 0. -1. 0. 0. 0. -1. 0. 0. 0.
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3. 0. 1. 0. -1. 0. 1. 0. -1. 0. -1. 0. -1. 0. -1. 0. 0. 0. -1. 0. -0. 0. 1. 0. 0. 0. -1. 0. 0. 0. 1. 0. 0. 0. 1. 0. -0. 0. -1. 0. -0. 0. -1. 0. 0. 0. 1. 0.
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3. 0. -1. 0. -1. 0. -1. 0. -1. 0. 1. 0. -1. 0. 1. 0. 0. 0. 1. 0. 0. 0. -1. 0. -0. 0. 1. 0. -0. 0. -1. 0. 0. 0. -1. 0. -0. 0. 1. 0. 0. 0. 1. 0. -0. 0. -1. 0.
2. 0. 0. 0. 2. 0. 0. 0. 2. 0. 0. 0. 2. 0. 0. 0. -1. 0. 0. 0. -1. 0. 0. 0. -1. 0. 0. 0. -1. 0. 0. 0. -1. 0. -0. 0. -1. 0. -0. 0. -1. 0. -0. 0. -1. 0. -0. 0.
3. 0. -1. 0. -1. 0. -1. 0. -1. 0. 1. 0. -1. 0. 1. 0. 0. 0. 1. 0. -0. 0. -1. 0. 0. 0. 1. 0. -0. 0. -1. 0. 0. 0. -1. 0. -0. 0. 1. 0. -0. 0. 1. 0. 0. 0. -1. 0.
2. 0. 0. 0. 2. 0. 0. 0. 2. 0. 0. 0. 2. 0. 0. 0. -1. 0. 0. 0. -1. 0. 0. 0. -1. 0. 0. 0. -1. 0. 0. 0. -1. 0. -0. 0. -1. 0. -0. 0. -1. 0. -0. 0. -1. 0. -0. 0.
3. 0. 1. 0. -1. 0. 1. 0. -1. 0. -1. 0. -1. 0. -1. 0. 0. 0. -1. 0. 0. 0. 1. 0. -0. 0. -1. 0. 0. 0. 1. 0. 0. 0. 1. 0. 0. 0. -1. 0. 0. 0. -1. 0. -0. 0. 1. 0.
1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0.
3. 0. 1. 0. -1. 0. 1. 0. -1. 0. -1. 0. -1. 0. -1. 0. 0. 0. -1. 0. -0. 0. 1. 0. -0. 0. -1. 0. -0. 0. 1. 0. 0. 0. 1. 0. -0. 0. -1. 0. -0. 0. -1. 0. -0. 0. 1. 0.
3. 0. -1. 0. -1. 0. -1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -0. 0. 1. 0. 0. 0. -1. 0. 0. 0. 1. 0. -0. 0. -1. 0. -0. 0. -1. 0. -0. 0. 1. 0. 0. 0. 1. 0. 0. 0. -1. 0.
3. 0. 1. 0. -1. 0. 1. 0. -1. 0. -1. 0. -1. 0. -1. 0. 0. 0. -1. 0. 0. 0. 1. 0. -0. 0. -1. 0. -0. 0. 1. 0. 0. 0. 1. 0. -0. 0. -1. 0. 0. 0. -1. 0. -0. 0. 1. 0.
1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0.
3. 0. -1. 0. -1. 0. -1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -0. 0. 1. 0. 0. 0. -1. 0. -0. 0. 1. 0. 0. 0. -1. 0. -0. 0. -1. 0. 0. 0. 1. 0. 0. 0. 1. 0. -0. 0. -1. 0.
3. 0. 1. 0. -1. 0. 1. 0. -1. 0. -1. 0. -1. 0. -1. 0. -0. 0. -1. 0. 0. 0. 1. 0. -0. 0. -1. 0. 0. 0. 1. 0. -0. 0. 1. 0. 0. 0. -1. 0. 0. 0. -1. 0. -0. 0. 1. 0.
2. 0. -0. 0. 2. 0. -0. 0. 2. 0. -0. 0. 2. 0. -0. 0. -1. 0. 0. 0. -1. 0. 0. 0. -1. 0. 0. 0. -1. 0. 0. 0. -1. 0. -0. 0. -1. 0. 0. 0. -1. 0. -0. 0. -1. 0. -0. 0.
3. 0. 1. 0. -1. 0. 1. 0. -1. 0. -1. 0. -1. 0. -1. 0. 0. 0. -1. 0. -0. 0. 1. 0. -0. 0. -1. 0. 0. 0. 1. 0. 0. 0. 1. 0. 0. 0. -1. 0. -0. 0. -1. 0. -0. 0. 1. 0.
3. 0. -1. 0. -1. 0. -1. 0. -1. 0. 1. 0. -1. 0. 1. 0. 0. 0. 1. 0. -0. 0. -1. 0. -0. 0. 1. 0. 0. 0. -1. 0. 0. 0. -1. 0. 0. 0. 1. 0. -0. 0. 1. 0. -0. 0. -1. 0.
1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0.
1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0.
3. 0. 1. 0. -1. 0. 1. 0. -1. 0. -1. 0. -1. 0. -1. 0. -0. 0. -1. 0. 0. 0. 1. 0. 0. 0. -1. 0. -0. 0. 1. 0. -0. 0. 1. 0. -0. 0. -1. 0. 0. 0. -1. 0. 0. 0. 1. 0.
3. 0. -1. 0. -1. 0. -1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -0. 0. 1. 0. 0. 0. -1. 0. 0. 0. 1. 0. -0. 0. -1. 0. -0. 0. -1. 0. -0. 0. 1. 0. -0. 0. 1. 0. 0. 0. -1. 0.
1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0.
3. 0. -1. 0. -1. 0. -1. 0. -1. 0. 1. 0. -1. 0. 1. 0. 0. 0. 1. 0. -0. 0. -1. 0. 0. 0. 1. 0. -0. 0. -1. 0. 0. 0. -1. 0. -0. 0. 1. 0. -0. 0. 1. 0. 0. 0. -1. 0.
2. 0. 0. 0. 2. 0. -0. 0. 2. 0. 0. 0. 2. 0. -0. 0. -1. 0. -0. 0. -1. 0. 0. 0. -1. 0. 0. 0. -1. 0. 0. 0. -1. 0. 0. 0. -1. 0. 0. 0. -1. 0. 0. 0. -1. 0. 0. 0.
3. 0. 1. 0. -1. 0. 1. 0. -1. 0. -1. 0. -1. 0. -1. 0. 0. 0. -1. 0. 0. 0. 1. 0. 0. 0. -1. 0. -0. 0. 1. 0. 0. 0. 1. 0. -0. 0. -1. 0. 0. 0. -1. 0. 0. 0. 1. 0.
1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0.
3. 0. -1. 0. -1. 0. -1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -0. 0. 1. 0. 0. 0. -1. 0. -0. 0. 1. 0. 0. 0. -1. 0. -0. 0. -1. 0. 0. 0. 1. 0. 0. 0. 1. 0. -0. 0. -1. 0.
3. 0. 1. 0. -1. 0. 1. 0. -1. 0. -1. 0. -1. 0. -1. 0. -0. 0. -1. 0. -0. 0. 1. 0. 0. 0. -1. 0. -0. 0. 1. 0. -0. 0. 1. 0. -0. 0. -1. 0. 0. 0. -1. 0. 0. 0. 1. 0.
2. 0. 0. 0. 2. 0. 0. 0. 2. 0. 0. 0. 2. 0. 0. 0. -1. 0. 0. 0. -1. 0. 0. 0. -1. 0. 0. 0. -1. 0. 0. 0. -1. 0. -0. 0. -1. 0. -0. 0. -1. 0. -0. 0. -1. 0. -0. 0.
3. 0. -1. 0. -1. 0. -1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -0. 0. 1. 0. 0. 0. -1. 0. 0. 0. 1. 0. 0. 0. -1. 0. -0. 0. -1. 0. 0. 0. 1. 0. 0. 0. 1. 0. 0. 0. -1. 0.
2. 0. 0. 0. 2. 0. 0. 0. 2. 0. 0. 0. 2. 0. 0. 0. -1. 0. -0. 0. -1. 0. -0. 0. -1. 0. 0. 0. -1. 0. 0. 0. -1. 0. -0. 0. -1. 0. -0. 0. -1. 0. 0. 0. -1. 0. 0. 0.
3. 0. 1. 0. -1. 0. 1. 0. -1. 0. -1. 0. -1. 0. -1. 0. -0. 0. -1. 0. -0. 0. 1. 0. -0. 0. -1. 0. 0. 0. 1. 0. 0. 0. 1. 0. 0. 0. -1. 0. -0. 0. -1. 0. -0. 0. 1. 0.
3. 0. -1. 0. -1. 0. -1. 0. -1. 0. 1. 0. -1. 0. 1. 0. 0. 0. 1. 0. -0. 0. -1. 0. -0. 0. 1. 0. 0. 0. -1. 0. -0. 0. -1. 0. 0. 0. 1. 0. -0. 0. 1. 0. -0. 0. -1. 0.
1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -1. 0.
1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0. 1. 0.
3. 0. -1. 0. -1. 0. -1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -0. 0. 1. 0. 0. 0. -1. 0. -0. 0. 1. 0. 0. 0. -1. 0. -0. 0. -1. 0. 0. 0. 1. 0. 0. 0. 1. 0. -0. 0. -1. 0.
3. 0. 1. 0. -1. 0. 1. 0. -1. 0. -1. 0. -1. 0. -1. 0. -0. 0. -1. 0. -0. 0. 1. 0. 0. 0. -1. 0. -0. 0. 1. 0. -0. 0. 1. 0. -0. 0. -1. 0. -0. 0. -1. 0. 0. 0. 1. 0."""
chars_Pbar43m = """ 3. 0. -1. 0. -1. 0. -1. 0. -1. 0. 1. 0. -1. 0. 1. 0. 0. 0. 1. 0. -0. 0. -1. 0. -0. 0. 1. 0. 0. 0. -1. 0. 0. 0. -1. 0. 0. 0. 1. 0. -0. 0. 1. 0. -0. 0. -1. 0.
3. 0. 1. 0. -1. 0. 1. 0. -1. 0. -1. 0. -1. 0. -1. 0. 0. 0. -1. 0. 0. 0. 1. 0. 0. 0. -1. 0. -0. 0. 1. 0. -0. 0. 1. 0. -0. 0. -1. 0. 0. 0. -1. 0. 0. 0. 1. 0.
3. 0. -1. 0. -1. 0. -1. 0. -1. 0. 1. 0. -1. 0. 1. 0. -0. 0. 1. 0. 0. 0. -1. 0. 0. 0. 1. 0. -0. 0. -1. 0. 0. 0. -1. 0. -0. 0. 1. 0. 0. 0. 1. 0. 0. 0. -1. 0.
@ -384,112 +668,184 @@ chars_Pbar43m = """ 3. 0. -1. 0. -1. 0. -1. 0. -1. 0. 1. 0. -1. 0. 1.
class TestIrreps(unittest.TestCase):
def setUp(self):
pass
def tearDown(self):
pass
def test_pt03_P2(self):
data = self._load_data(chars_P2)
phonon = self._get_phonon("P2",
[3, 2, 2],
np.eye(3))
phonon.set_irreps([0, 0, 0])
chars = phonon.get_irreps().get_characters()
np.testing.assert_allclose(chars, data, atol=1e-5)
def test_pt04_Pc(self):
data = self._load_data(chars_Pc)
phonon = self._get_phonon("Pc",
phonon = self._get_phonon("Pc",
[2, 2, 2],
np.eye(3))
phonon.set_irreps([0, 0, 0])
chars = phonon.get_irreps().get_characters()
np.testing.assert_allclose(chars,data,atol=1e-5)
np.testing.assert_allclose(chars, data, atol=1e-5)
def test_pt06_P222_1(self):
data = self._load_data(chars_P222_1)
phonon = self._get_phonon("P222_1",
phonon = self._get_phonon("P222_1",
[2, 2, 1],
np.eye(3))
phonon.set_irreps([0, 0, 0])
chars = phonon.get_irreps().get_characters()
np.testing.assert_allclose(chars,data,atol=1e-5)
np.testing.assert_allclose(chars, data, atol=1e-5)
def test_pt07_Amm2(self):
data = self._load_data(chars_Amm2)
phonon = self._get_phonon("Amm2",
phonon = self._get_phonon("Amm2",
[3, 2, 2],
[[1, 0, 0],
[0, 0.5, -0.5],
[0, 0.5, 0.5]])
phonon.set_irreps([0, 0, 0])
chars = phonon.get_irreps().get_characters()
np.testing.assert_allclose(chars,data,atol=1e-5)
np.testing.assert_allclose(chars, data, atol=1e-5)
def test_pt09_P4_1(self):
data = self._load_data(chars_P4_1)
phonon = self._get_phonon("P4_1",
phonon = self._get_phonon("P4_1",
[2, 2, 1],
np.eye(3))
phonon.set_irreps([0, 0, 0])
chars = phonon.get_irreps().get_characters()
np.testing.assert_allclose(chars,data,atol=1e-5)
np.testing.assert_allclose(chars, data, atol=1e-5)
def test_pt10_Pbar4(self):
data = self._load_data(chars_Pbar4)
phonon = self._get_phonon("P-4",
phonon = self._get_phonon("P-4",
[1, 1, 2],
np.eye(3))
phonon.set_irreps([0, 0, 0])
chars = phonon.get_irreps().get_characters()
np.testing.assert_allclose(chars,data,atol=1e-5)
np.testing.assert_allclose(chars, data, atol=1e-5)
def test_pt11_I4_1a(self):
data = self._load_data(chars_I4_1a)
phonon = self._get_phonon("I4_1a",
phonon = self._get_phonon("I4_1a",
[2, 2, 1],
np.array([[-1, 1, 1],
[1, -1, 1],
[1, 1, -1]]) * 0.5)
phonon.set_irreps([0, 0, 0])
chars = phonon.get_irreps().get_characters()
np.testing.assert_allclose(chars,data,atol=1e-5)
np.testing.assert_allclose(chars, data, atol=1e-5)
def test_pt13_P4mm(self):
data = self._load_data(chars_P4mm)
phonon = self._get_phonon("P4mm",
phonon = self._get_phonon("P4mm",
[3, 3, 2],
np.eye(3))
phonon.set_irreps([0, 0, 0])
chars = phonon.get_irreps().get_characters()
np.testing.assert_allclose(chars,data,atol=1e-5)
np.testing.assert_allclose(chars, data, atol=1e-5)
def test_pt14_Pbar42_1m(self):
data = self._load_data(chars_Pbar42_1m)
phonon = self._get_phonon("P-42_1m",
phonon = self._get_phonon("P-42_1m",
[2, 2, 3],
np.eye(3))
phonon.set_irreps([0, 0, 0])
chars = phonon.get_irreps().get_characters()
np.testing.assert_allclose(chars,data,atol=1e-5)
np.testing.assert_allclose(chars, data, atol=1e-5)
def test_pt19_P3m1(self):
data = self._load_data(chars_P3m1)
phonon = self._get_phonon("P3m1",
[4, 4, 2],
np.eye(3))
phonon.set_irreps([0, 0, 0])
chars = phonon.get_irreps().get_characters()
np.testing.assert_allclose(chars, data, atol=1e-5)
def test_pt20_Pbar3m1(self):
data = self._load_data(chars_Pbar3m1)
phonon = self._get_phonon("P-3m1",
phonon = self._get_phonon("P-3m1",
[3, 3, 2],
np.eye(3))
phonon.set_irreps([0, 0, 0])
chars = phonon.get_irreps().get_characters()
np.testing.assert_allclose(chars,data,atol=1e-5)
np.testing.assert_allclose(chars, data, atol=1e-5)
def test_pt26_Pbar6m2(self):
data = self._load_data(chars_Pbar6m2)
phonon = self._get_phonon("P-6m2",
[2, 2, 3],
def test_pt21_P6(self):
data = self._load_data(chars_P6)
phonon = self._get_phonon("P6",
[2, 2, 1],
np.eye(3))
phonon.set_irreps([0, 0, 0])
chars = phonon.get_irreps().get_characters()
np.testing.assert_allclose(chars,data,atol=1e-5)
np.testing.assert_allclose(chars, data, atol=1e-5)
def test_pt31_Pbar43m(self):
data = self._load_data(chars_Pbar43m)
phonon = self._get_phonon("P-43m",
def test_pt22_Pbar6(self):
data = self._load_data(chars_Pbar6)
phonon = self._get_phonon("P-6",
[1, 1, 3],
np.eye(3))
phonon.set_irreps([0, 0, 0])
chars = phonon.get_irreps().get_characters()
np.testing.assert_allclose(chars, data, atol=1e-5)
def test_pt24_P6_222(self):
data = self._load_data(chars_P6_222)
phonon = self._get_phonon("P6_222",
[2, 2, 2],
np.eye(3))
phonon.set_irreps([0, 0, 0])
chars = phonon.get_irreps().get_characters()
np.testing.assert_allclose(chars,data,atol=1e-5)
np.testing.assert_allclose(chars, data, atol=1e-5)
def test_pt26_Pbar6m2(self):
data = self._load_data(chars_Pbar6m2)
phonon = self._get_phonon("P-6m2",
[2, 2, 3],
np.eye(3))
phonon.set_irreps([0, 0, 0])
chars = phonon.get_irreps().get_characters()
np.testing.assert_allclose(chars, data, atol=1e-5)
def test_pt28_P2_13(self):
data = self._load_data(chars_P2_13)
phonon = self._get_phonon("P2_13",
[2, 2, 2],
np.eye(3))
phonon.set_irreps([0, 0, 0])
chars = phonon.get_irreps().get_characters()
np.testing.assert_allclose(chars, data, atol=1e-5)
def test_pt29_Pabar3(self):
data = self._load_data(chars_Pabar3)
phonon = self._get_phonon("Pa-3",
[2, 2, 2],
np.eye(3))
phonon.set_irreps([0, 0, 0])
chars = phonon.get_irreps().get_characters()
np.testing.assert_allclose(chars, data, atol=1e-5)
def test_pt30_P4_332(self):
data = self._load_data(chars_P4_332)
phonon = self._get_phonon("P4_332",
[1, 1, 1],
np.eye(3))
phonon.set_irreps([0, 0, 0])
chars = phonon.get_irreps().get_characters()
np.testing.assert_allclose(chars, data, atol=1e-5)
def test_pt31_Pbar43m(self):
data = self._load_data(chars_Pbar43m)
phonon = self._get_phonon("P-43m",
[2, 2, 2],
np.eye(3))
phonon.set_irreps([0, 0, 0])
chars = phonon.get_irreps().get_characters()
np.testing.assert_allclose(chars, data, atol=1e-5)
def _get_phonon(self, spgtype, dim, pmat):
cell = read_vasp(os.path.join(data_dir,"POSCAR_%s" % spgtype))