Line data Source code
1 : !!****f* ABINIT/ptg_Oh
2 : !!
3 : !! NAME
4 : !! ptg_Oh
5 : !!
6 : !! FUNCTION
7 : !!
8 : !! COPYRIGHT
9 : !! Copyright (C) 2010-2026 ABINIT group (MG)
10 : !! This file is distributed under the terms of the
11 : !! GNU General Public License, see ~abinit/COPYING
12 : !! or http://www.gnu.org/copyleft/gpl.txt .
13 : !! For the initials of contributors, see ~abinit/doc/developers/contributors.txt .
14 : !!
15 : !! INPUTS
16 : !!
17 : !! OUTPUT
18 : !!
19 : !! SOURCE
20 : !!
21 : !********************************************************************************
22 : ! This include file has been automatically generated by the script ptg.py
23 : ! Do not edit! Change the script source instead.
24 : !********************************************************************************
25 :
26 : ! Point group name Oh (m-3m)
27 :
28 : #if defined HAVE_CONFIG_H
29 : #include "config.h"
30 : #endif
31 :
32 : #include "abi_common.h"
33 :
34 : module m_ptg_Oh
35 :
36 : #ifdef FC_INTEL
37 : !DEC$ NOOPTIMIZE
38 : #endif
39 :
40 : contains
41 : !!**
42 0 : subroutine ptg_Oh (nsym,nclass,sym,class_ids,class_names,Irr)
43 :
44 : use defs_basis
45 : use m_abicore
46 : use m_defs_ptgroups, only : irrep_t
47 : implicit none
48 : !Arguments ------------------------------------
49 : integer,intent(out) :: nclass,nsym
50 : !arrays
51 : integer,allocatable,intent(out) :: sym(:,:,:), class_ids(:,:)
52 : character(len=5),allocatable,intent(out) :: class_names(:)
53 : type(irrep_t),allocatable,intent(out) :: Irr(:)
54 : !Local variables-------------------------------
55 : complex(dp) :: j=(0.0_dp,1.0_dp)
56 : ! ********************************************************************************
57 : ! List of symmetries packed in classes
58 0 : nsym = 48
59 0 : ABI_MALLOC(sym, (3,3,nsym))
60 0 : sym(:,:,1) = RESHAPE( (/1, 0, 0, 0, 1, 0, 0, 0, 1/) ,(/3,3/) )
61 0 : sym(:,:,2) = RESHAPE( (/-1, 0, 0, 0, -1, 0, 0, 0, 1/) ,(/3,3/) )
62 0 : sym(:,:,3) = RESHAPE( (/1, 0, 0, 0, -1, 0, 0, 0, -1/) ,(/3,3/) )
63 0 : sym(:,:,4) = RESHAPE( (/-1, 0, 0, 0, 1, 0, 0, 0, -1/) ,(/3,3/) )
64 0 : sym(:,:,5) = RESHAPE( (/0, 1, 0, 0, 0, 1, 1, 0, 0/) ,(/3,3/) )
65 0 : sym(:,:,6) = RESHAPE( (/0, -1, 0, 0, 0, -1, 1, 0, 0/) ,(/3,3/) )
66 0 : sym(:,:,7) = RESHAPE( (/0, 1, 0, 0, 0, -1, -1, 0, 0/) ,(/3,3/) )
67 0 : sym(:,:,8) = RESHAPE( (/0, -1, 0, 0, 0, 1, -1, 0, 0/) ,(/3,3/) )
68 0 : sym(:,:,9) = RESHAPE( (/0, 0, 1, 1, 0, 0, 0, 1, 0/) ,(/3,3/) )
69 0 : sym(:,:,10) = RESHAPE( (/0, 0, -1, -1, 0, 0, 0, 1, 0/) ,(/3,3/) )
70 0 : sym(:,:,11) = RESHAPE( (/0, 0, 1, -1, 0, 0, 0, -1, 0/) ,(/3,3/) )
71 0 : sym(:,:,12) = RESHAPE( (/0, 0, -1, 1, 0, 0, 0, -1, 0/) ,(/3,3/) )
72 0 : sym(:,:,13) = RESHAPE( (/0, 1, 0, 1, 0, 0, 0, 0, -1/) ,(/3,3/) )
73 0 : sym(:,:,14) = RESHAPE( (/0, -1, 0, -1, 0, 0, 0, 0, -1/) ,(/3,3/) )
74 0 : sym(:,:,15) = RESHAPE( (/-1, 0, 0, 0, 0, 1, 0, 1, 0/) ,(/3,3/) )
75 0 : sym(:,:,16) = RESHAPE( (/-1, 0, 0, 0, 0, -1, 0, -1, 0/) ,(/3,3/) )
76 0 : sym(:,:,17) = RESHAPE( (/0, 0, 1, 0, -1, 0, 1, 0, 0/) ,(/3,3/) )
77 0 : sym(:,:,18) = RESHAPE( (/0, 0, -1, 0, -1, 0, -1, 0, 0/) ,(/3,3/) )
78 0 : sym(:,:,19) = RESHAPE( (/0, 1, 0, -1, 0, 0, 0, 0, 1/) ,(/3,3/) )
79 0 : sym(:,:,20) = RESHAPE( (/0, -1, 0, 1, 0, 0, 0, 0, 1/) ,(/3,3/) )
80 0 : sym(:,:,21) = RESHAPE( (/1, 0, 0, 0, 0, -1, 0, 1, 0/) ,(/3,3/) )
81 0 : sym(:,:,22) = RESHAPE( (/1, 0, 0, 0, 0, 1, 0, -1, 0/) ,(/3,3/) )
82 0 : sym(:,:,23) = RESHAPE( (/0, 0, -1, 0, 1, 0, 1, 0, 0/) ,(/3,3/) )
83 0 : sym(:,:,24) = RESHAPE( (/0, 0, 1, 0, 1, 0, -1, 0, 0/) ,(/3,3/) )
84 0 : sym(:,:,25) = RESHAPE( (/-1, 0, 0, 0, -1, 0, 0, 0, -1/) ,(/3,3/) )
85 0 : sym(:,:,26) = RESHAPE( (/1, 0, 0, 0, 1, 0, 0, 0, -1/) ,(/3,3/) )
86 0 : sym(:,:,27) = RESHAPE( (/-1, 0, 0, 0, 1, 0, 0, 0, 1/) ,(/3,3/) )
87 0 : sym(:,:,28) = RESHAPE( (/1, 0, 0, 0, -1, 0, 0, 0, 1/) ,(/3,3/) )
88 0 : sym(:,:,29) = RESHAPE( (/0, -1, 0, 0, 0, -1, -1, 0, 0/) ,(/3,3/) )
89 0 : sym(:,:,30) = RESHAPE( (/0, 1, 0, 0, 0, 1, -1, 0, 0/) ,(/3,3/) )
90 0 : sym(:,:,31) = RESHAPE( (/0, -1, 0, 0, 0, 1, 1, 0, 0/) ,(/3,3/) )
91 0 : sym(:,:,32) = RESHAPE( (/0, 1, 0, 0, 0, -1, 1, 0, 0/) ,(/3,3/) )
92 0 : sym(:,:,33) = RESHAPE( (/0, 0, -1, -1, 0, 0, 0, -1, 0/) ,(/3,3/) )
93 0 : sym(:,:,34) = RESHAPE( (/0, 0, 1, 1, 0, 0, 0, -1, 0/) ,(/3,3/) )
94 0 : sym(:,:,35) = RESHAPE( (/0, 0, -1, 1, 0, 0, 0, 1, 0/) ,(/3,3/) )
95 0 : sym(:,:,36) = RESHAPE( (/0, 0, 1, -1, 0, 0, 0, 1, 0/) ,(/3,3/) )
96 0 : sym(:,:,37) = RESHAPE( (/0, -1, 0, -1, 0, 0, 0, 0, 1/) ,(/3,3/) )
97 0 : sym(:,:,38) = RESHAPE( (/0, 1, 0, 1, 0, 0, 0, 0, 1/) ,(/3,3/) )
98 0 : sym(:,:,39) = RESHAPE( (/1, 0, 0, 0, 0, -1, 0, -1, 0/) ,(/3,3/) )
99 0 : sym(:,:,40) = RESHAPE( (/1, 0, 0, 0, 0, 1, 0, 1, 0/) ,(/3,3/) )
100 0 : sym(:,:,41) = RESHAPE( (/0, 0, -1, 0, 1, 0, -1, 0, 0/) ,(/3,3/) )
101 0 : sym(:,:,42) = RESHAPE( (/0, 0, 1, 0, 1, 0, 1, 0, 0/) ,(/3,3/) )
102 0 : sym(:,:,43) = RESHAPE( (/0, -1, 0, 1, 0, 0, 0, 0, -1/) ,(/3,3/) )
103 0 : sym(:,:,44) = RESHAPE( (/0, 1, 0, -1, 0, 0, 0, 0, -1/) ,(/3,3/) )
104 0 : sym(:,:,45) = RESHAPE( (/-1, 0, 0, 0, 0, 1, 0, -1, 0/) ,(/3,3/) )
105 0 : sym(:,:,46) = RESHAPE( (/-1, 0, 0, 0, 0, -1, 0, 1, 0/) ,(/3,3/) )
106 0 : sym(:,:,47) = RESHAPE( (/0, 0, 1, 0, -1, 0, -1, 0, 0/) ,(/3,3/) )
107 0 : sym(:,:,48) = RESHAPE( (/0, 0, -1, 0, -1, 0, 1, 0, 0/) ,(/3,3/) )
108 :
109 : ! Number of classes and corresponding indices
110 0 : nclass = 10
111 0 : ABI_MALLOC(class_ids, (2,nclass))
112 0 : class_ids(1,1) = 1
113 0 : class_ids(2,1) = 1
114 0 : class_ids(1,2) = 2
115 0 : class_ids(2,2) = 4
116 0 : class_ids(1,3) = 5
117 0 : class_ids(2,3) = 12
118 0 : class_ids(1,4) = 13
119 0 : class_ids(2,4) = 18
120 0 : class_ids(1,5) = 19
121 0 : class_ids(2,5) = 24
122 0 : class_ids(1,6) = 25
123 0 : class_ids(2,6) = 25
124 0 : class_ids(1,7) = 26
125 0 : class_ids(2,7) = 28
126 0 : class_ids(1,8) = 29
127 0 : class_ids(2,8) = 36
128 0 : class_ids(1,9) = 37
129 0 : class_ids(2,9) = 42
130 0 : class_ids(1,10) = 43
131 0 : class_ids(2,10) = 48
132 :
133 0 : ABI_MALLOC(class_names,(10))
134 0 : class_names(1) = "1+"
135 0 : class_names(2) = "2+"
136 0 : class_names(3) = "3+"
137 0 : class_names(4) = "2+"
138 0 : class_names(5) = "4+"
139 0 : class_names(6) = "-2-"
140 0 : class_names(7) = "-2+"
141 0 : class_names(8) = "-6-"
142 0 : class_names(9) = "-2+"
143 0 : class_names(10) = "-4+"
144 :
145 : ! List of irreducible representations.
146 0 : ABI_MALLOC(Irr, (10))
147 0 : Irr(1)%name = "A1g"
148 0 : Irr(1)%dim = 1
149 0 : Irr(1)%nsym = 48
150 0 : ABI_MALLOC(Irr(1)%mat, (1,1,48))
151 0 : Irr(1)%mat(:,:,1) = RESHAPE( (/1.0/), (/1, 1/) )
152 0 : Irr(1)%mat(:,:,2) = RESHAPE( (/1.0/), (/1, 1/) )
153 0 : Irr(1)%mat(:,:,3) = RESHAPE( (/1.0/), (/1, 1/) )
154 0 : Irr(1)%mat(:,:,4) = RESHAPE( (/1.0/), (/1, 1/) )
155 0 : Irr(1)%mat(:,:,5) = RESHAPE( (/1.0/), (/1, 1/) )
156 0 : Irr(1)%mat(:,:,6) = RESHAPE( (/1.0/), (/1, 1/) )
157 0 : Irr(1)%mat(:,:,7) = RESHAPE( (/1.0/), (/1, 1/) )
158 0 : Irr(1)%mat(:,:,8) = RESHAPE( (/1.0/), (/1, 1/) )
159 0 : Irr(1)%mat(:,:,9) = RESHAPE( (/1.0/), (/1, 1/) )
160 0 : Irr(1)%mat(:,:,10) = RESHAPE( (/1.0/), (/1, 1/) )
161 0 : Irr(1)%mat(:,:,11) = RESHAPE( (/1.0/), (/1, 1/) )
162 0 : Irr(1)%mat(:,:,12) = RESHAPE( (/1.0/), (/1, 1/) )
163 0 : Irr(1)%mat(:,:,13) = RESHAPE( (/1.0/), (/1, 1/) )
164 0 : Irr(1)%mat(:,:,14) = RESHAPE( (/1.0/), (/1, 1/) )
165 0 : Irr(1)%mat(:,:,15) = RESHAPE( (/1.0/), (/1, 1/) )
166 0 : Irr(1)%mat(:,:,16) = RESHAPE( (/1.0/), (/1, 1/) )
167 0 : Irr(1)%mat(:,:,17) = RESHAPE( (/1.0/), (/1, 1/) )
168 0 : Irr(1)%mat(:,:,18) = RESHAPE( (/1.0/), (/1, 1/) )
169 0 : Irr(1)%mat(:,:,19) = RESHAPE( (/1.0/), (/1, 1/) )
170 0 : Irr(1)%mat(:,:,20) = RESHAPE( (/1.0/), (/1, 1/) )
171 0 : Irr(1)%mat(:,:,21) = RESHAPE( (/1.0/), (/1, 1/) )
172 0 : Irr(1)%mat(:,:,22) = RESHAPE( (/1.0/), (/1, 1/) )
173 0 : Irr(1)%mat(:,:,23) = RESHAPE( (/1.0/), (/1, 1/) )
174 0 : Irr(1)%mat(:,:,24) = RESHAPE( (/1.0/), (/1, 1/) )
175 0 : Irr(1)%mat(:,:,25) = RESHAPE( (/1.0/), (/1, 1/) )
176 0 : Irr(1)%mat(:,:,26) = RESHAPE( (/1.0/), (/1, 1/) )
177 0 : Irr(1)%mat(:,:,27) = RESHAPE( (/1.0/), (/1, 1/) )
178 0 : Irr(1)%mat(:,:,28) = RESHAPE( (/1.0/), (/1, 1/) )
179 0 : Irr(1)%mat(:,:,29) = RESHAPE( (/1.0/), (/1, 1/) )
180 0 : Irr(1)%mat(:,:,30) = RESHAPE( (/1.0/), (/1, 1/) )
181 0 : Irr(1)%mat(:,:,31) = RESHAPE( (/1.0/), (/1, 1/) )
182 0 : Irr(1)%mat(:,:,32) = RESHAPE( (/1.0/), (/1, 1/) )
183 0 : Irr(1)%mat(:,:,33) = RESHAPE( (/1.0/), (/1, 1/) )
184 0 : Irr(1)%mat(:,:,34) = RESHAPE( (/1.0/), (/1, 1/) )
185 0 : Irr(1)%mat(:,:,35) = RESHAPE( (/1.0/), (/1, 1/) )
186 0 : Irr(1)%mat(:,:,36) = RESHAPE( (/1.0/), (/1, 1/) )
187 0 : Irr(1)%mat(:,:,37) = RESHAPE( (/1.0/), (/1, 1/) )
188 0 : Irr(1)%mat(:,:,38) = RESHAPE( (/1.0/), (/1, 1/) )
189 0 : Irr(1)%mat(:,:,39) = RESHAPE( (/1.0/), (/1, 1/) )
190 0 : Irr(1)%mat(:,:,40) = RESHAPE( (/1.0/), (/1, 1/) )
191 0 : Irr(1)%mat(:,:,41) = RESHAPE( (/1.0/), (/1, 1/) )
192 0 : Irr(1)%mat(:,:,42) = RESHAPE( (/1.0/), (/1, 1/) )
193 0 : Irr(1)%mat(:,:,43) = RESHAPE( (/1.0/), (/1, 1/) )
194 0 : Irr(1)%mat(:,:,44) = RESHAPE( (/1.0/), (/1, 1/) )
195 0 : Irr(1)%mat(:,:,45) = RESHAPE( (/1.0/), (/1, 1/) )
196 0 : Irr(1)%mat(:,:,46) = RESHAPE( (/1.0/), (/1, 1/) )
197 0 : Irr(1)%mat(:,:,47) = RESHAPE( (/1.0/), (/1, 1/) )
198 0 : Irr(1)%mat(:,:,48) = RESHAPE( (/1.0/), (/1, 1/) )
199 :
200 0 : Irr(2)%name = "A1u"
201 0 : Irr(2)%dim = 1
202 0 : Irr(2)%nsym = 48
203 0 : ABI_MALLOC(Irr(2)%mat, (1,1,48))
204 0 : Irr(2)%mat(:,:,1) = RESHAPE( (/1.0/), (/1, 1/) )
205 0 : Irr(2)%mat(:,:,2) = RESHAPE( (/1.0/), (/1, 1/) )
206 0 : Irr(2)%mat(:,:,3) = RESHAPE( (/1.0/), (/1, 1/) )
207 0 : Irr(2)%mat(:,:,4) = RESHAPE( (/1.0/), (/1, 1/) )
208 0 : Irr(2)%mat(:,:,5) = RESHAPE( (/1.0/), (/1, 1/) )
209 0 : Irr(2)%mat(:,:,6) = RESHAPE( (/1.0/), (/1, 1/) )
210 0 : Irr(2)%mat(:,:,7) = RESHAPE( (/1.0/), (/1, 1/) )
211 0 : Irr(2)%mat(:,:,8) = RESHAPE( (/1.0/), (/1, 1/) )
212 0 : Irr(2)%mat(:,:,9) = RESHAPE( (/1.0/), (/1, 1/) )
213 0 : Irr(2)%mat(:,:,10) = RESHAPE( (/1.0/), (/1, 1/) )
214 0 : Irr(2)%mat(:,:,11) = RESHAPE( (/1.0/), (/1, 1/) )
215 0 : Irr(2)%mat(:,:,12) = RESHAPE( (/1.0/), (/1, 1/) )
216 0 : Irr(2)%mat(:,:,13) = RESHAPE( (/1.0/), (/1, 1/) )
217 0 : Irr(2)%mat(:,:,14) = RESHAPE( (/1.0/), (/1, 1/) )
218 0 : Irr(2)%mat(:,:,15) = RESHAPE( (/1.0/), (/1, 1/) )
219 0 : Irr(2)%mat(:,:,16) = RESHAPE( (/1.0/), (/1, 1/) )
220 0 : Irr(2)%mat(:,:,17) = RESHAPE( (/1.0/), (/1, 1/) )
221 0 : Irr(2)%mat(:,:,18) = RESHAPE( (/1.0/), (/1, 1/) )
222 0 : Irr(2)%mat(:,:,19) = RESHAPE( (/1.0/), (/1, 1/) )
223 0 : Irr(2)%mat(:,:,20) = RESHAPE( (/1.0/), (/1, 1/) )
224 0 : Irr(2)%mat(:,:,21) = RESHAPE( (/1.0/), (/1, 1/) )
225 0 : Irr(2)%mat(:,:,22) = RESHAPE( (/1.0/), (/1, 1/) )
226 0 : Irr(2)%mat(:,:,23) = RESHAPE( (/1.0/), (/1, 1/) )
227 0 : Irr(2)%mat(:,:,24) = RESHAPE( (/1.0/), (/1, 1/) )
228 0 : Irr(2)%mat(:,:,25) = RESHAPE( (/-1.0/), (/1, 1/) )
229 0 : Irr(2)%mat(:,:,26) = RESHAPE( (/-1.0/), (/1, 1/) )
230 0 : Irr(2)%mat(:,:,27) = RESHAPE( (/-1.0/), (/1, 1/) )
231 0 : Irr(2)%mat(:,:,28) = RESHAPE( (/-1.0/), (/1, 1/) )
232 0 : Irr(2)%mat(:,:,29) = RESHAPE( (/-1.0/), (/1, 1/) )
233 0 : Irr(2)%mat(:,:,30) = RESHAPE( (/-1.0/), (/1, 1/) )
234 0 : Irr(2)%mat(:,:,31) = RESHAPE( (/-1.0/), (/1, 1/) )
235 0 : Irr(2)%mat(:,:,32) = RESHAPE( (/-1.0/), (/1, 1/) )
236 0 : Irr(2)%mat(:,:,33) = RESHAPE( (/-1.0/), (/1, 1/) )
237 0 : Irr(2)%mat(:,:,34) = RESHAPE( (/-1.0/), (/1, 1/) )
238 0 : Irr(2)%mat(:,:,35) = RESHAPE( (/-1.0/), (/1, 1/) )
239 0 : Irr(2)%mat(:,:,36) = RESHAPE( (/-1.0/), (/1, 1/) )
240 0 : Irr(2)%mat(:,:,37) = RESHAPE( (/-1.0/), (/1, 1/) )
241 0 : Irr(2)%mat(:,:,38) = RESHAPE( (/-1.0/), (/1, 1/) )
242 0 : Irr(2)%mat(:,:,39) = RESHAPE( (/-1.0/), (/1, 1/) )
243 0 : Irr(2)%mat(:,:,40) = RESHAPE( (/-1.0/), (/1, 1/) )
244 0 : Irr(2)%mat(:,:,41) = RESHAPE( (/-1.0/), (/1, 1/) )
245 0 : Irr(2)%mat(:,:,42) = RESHAPE( (/-1.0/), (/1, 1/) )
246 0 : Irr(2)%mat(:,:,43) = RESHAPE( (/-1.0/), (/1, 1/) )
247 0 : Irr(2)%mat(:,:,44) = RESHAPE( (/-1.0/), (/1, 1/) )
248 0 : Irr(2)%mat(:,:,45) = RESHAPE( (/-1.0/), (/1, 1/) )
249 0 : Irr(2)%mat(:,:,46) = RESHAPE( (/-1.0/), (/1, 1/) )
250 0 : Irr(2)%mat(:,:,47) = RESHAPE( (/-1.0/), (/1, 1/) )
251 0 : Irr(2)%mat(:,:,48) = RESHAPE( (/-1.0/), (/1, 1/) )
252 :
253 0 : Irr(3)%name = "A2g"
254 0 : Irr(3)%dim = 1
255 0 : Irr(3)%nsym = 48
256 0 : ABI_MALLOC(Irr(3)%mat, (1,1,48))
257 0 : Irr(3)%mat(:,:,1) = RESHAPE( (/1.0/), (/1, 1/) )
258 0 : Irr(3)%mat(:,:,2) = RESHAPE( (/1.0/), (/1, 1/) )
259 0 : Irr(3)%mat(:,:,3) = RESHAPE( (/1.0/), (/1, 1/) )
260 0 : Irr(3)%mat(:,:,4) = RESHAPE( (/1.0/), (/1, 1/) )
261 0 : Irr(3)%mat(:,:,5) = RESHAPE( (/1.0/), (/1, 1/) )
262 0 : Irr(3)%mat(:,:,6) = RESHAPE( (/1.0/), (/1, 1/) )
263 0 : Irr(3)%mat(:,:,7) = RESHAPE( (/1.0/), (/1, 1/) )
264 0 : Irr(3)%mat(:,:,8) = RESHAPE( (/1.0/), (/1, 1/) )
265 0 : Irr(3)%mat(:,:,9) = RESHAPE( (/1.0/), (/1, 1/) )
266 0 : Irr(3)%mat(:,:,10) = RESHAPE( (/1.0/), (/1, 1/) )
267 0 : Irr(3)%mat(:,:,11) = RESHAPE( (/1.0/), (/1, 1/) )
268 0 : Irr(3)%mat(:,:,12) = RESHAPE( (/1.0/), (/1, 1/) )
269 0 : Irr(3)%mat(:,:,13) = RESHAPE( (/-1.0/), (/1, 1/) )
270 0 : Irr(3)%mat(:,:,14) = RESHAPE( (/-1.0/), (/1, 1/) )
271 0 : Irr(3)%mat(:,:,15) = RESHAPE( (/-1.0/), (/1, 1/) )
272 0 : Irr(3)%mat(:,:,16) = RESHAPE( (/-1.0/), (/1, 1/) )
273 0 : Irr(3)%mat(:,:,17) = RESHAPE( (/-1.0/), (/1, 1/) )
274 0 : Irr(3)%mat(:,:,18) = RESHAPE( (/-1.0/), (/1, 1/) )
275 0 : Irr(3)%mat(:,:,19) = RESHAPE( (/-1.0/), (/1, 1/) )
276 0 : Irr(3)%mat(:,:,20) = RESHAPE( (/-1.0/), (/1, 1/) )
277 0 : Irr(3)%mat(:,:,21) = RESHAPE( (/-1.0/), (/1, 1/) )
278 0 : Irr(3)%mat(:,:,22) = RESHAPE( (/-1.0/), (/1, 1/) )
279 0 : Irr(3)%mat(:,:,23) = RESHAPE( (/-1.0/), (/1, 1/) )
280 0 : Irr(3)%mat(:,:,24) = RESHAPE( (/-1.0/), (/1, 1/) )
281 0 : Irr(3)%mat(:,:,25) = RESHAPE( (/1.0/), (/1, 1/) )
282 0 : Irr(3)%mat(:,:,26) = RESHAPE( (/1.0/), (/1, 1/) )
283 0 : Irr(3)%mat(:,:,27) = RESHAPE( (/1.0/), (/1, 1/) )
284 0 : Irr(3)%mat(:,:,28) = RESHAPE( (/1.0/), (/1, 1/) )
285 0 : Irr(3)%mat(:,:,29) = RESHAPE( (/1.0/), (/1, 1/) )
286 0 : Irr(3)%mat(:,:,30) = RESHAPE( (/1.0/), (/1, 1/) )
287 0 : Irr(3)%mat(:,:,31) = RESHAPE( (/1.0/), (/1, 1/) )
288 0 : Irr(3)%mat(:,:,32) = RESHAPE( (/1.0/), (/1, 1/) )
289 0 : Irr(3)%mat(:,:,33) = RESHAPE( (/1.0/), (/1, 1/) )
290 0 : Irr(3)%mat(:,:,34) = RESHAPE( (/1.0/), (/1, 1/) )
291 0 : Irr(3)%mat(:,:,35) = RESHAPE( (/1.0/), (/1, 1/) )
292 0 : Irr(3)%mat(:,:,36) = RESHAPE( (/1.0/), (/1, 1/) )
293 0 : Irr(3)%mat(:,:,37) = RESHAPE( (/-1.0/), (/1, 1/) )
294 0 : Irr(3)%mat(:,:,38) = RESHAPE( (/-1.0/), (/1, 1/) )
295 0 : Irr(3)%mat(:,:,39) = RESHAPE( (/-1.0/), (/1, 1/) )
296 0 : Irr(3)%mat(:,:,40) = RESHAPE( (/-1.0/), (/1, 1/) )
297 0 : Irr(3)%mat(:,:,41) = RESHAPE( (/-1.0/), (/1, 1/) )
298 0 : Irr(3)%mat(:,:,42) = RESHAPE( (/-1.0/), (/1, 1/) )
299 0 : Irr(3)%mat(:,:,43) = RESHAPE( (/-1.0/), (/1, 1/) )
300 0 : Irr(3)%mat(:,:,44) = RESHAPE( (/-1.0/), (/1, 1/) )
301 0 : Irr(3)%mat(:,:,45) = RESHAPE( (/-1.0/), (/1, 1/) )
302 0 : Irr(3)%mat(:,:,46) = RESHAPE( (/-1.0/), (/1, 1/) )
303 0 : Irr(3)%mat(:,:,47) = RESHAPE( (/-1.0/), (/1, 1/) )
304 0 : Irr(3)%mat(:,:,48) = RESHAPE( (/-1.0/), (/1, 1/) )
305 :
306 0 : Irr(4)%name = "A2u"
307 0 : Irr(4)%dim = 1
308 0 : Irr(4)%nsym = 48
309 0 : ABI_MALLOC(Irr(4)%mat, (1,1,48))
310 0 : Irr(4)%mat(:,:,1) = RESHAPE( (/1.0/), (/1, 1/) )
311 0 : Irr(4)%mat(:,:,2) = RESHAPE( (/1.0/), (/1, 1/) )
312 0 : Irr(4)%mat(:,:,3) = RESHAPE( (/1.0/), (/1, 1/) )
313 0 : Irr(4)%mat(:,:,4) = RESHAPE( (/1.0/), (/1, 1/) )
314 0 : Irr(4)%mat(:,:,5) = RESHAPE( (/1.0/), (/1, 1/) )
315 0 : Irr(4)%mat(:,:,6) = RESHAPE( (/1.0/), (/1, 1/) )
316 0 : Irr(4)%mat(:,:,7) = RESHAPE( (/1.0/), (/1, 1/) )
317 0 : Irr(4)%mat(:,:,8) = RESHAPE( (/1.0/), (/1, 1/) )
318 0 : Irr(4)%mat(:,:,9) = RESHAPE( (/1.0/), (/1, 1/) )
319 0 : Irr(4)%mat(:,:,10) = RESHAPE( (/1.0/), (/1, 1/) )
320 0 : Irr(4)%mat(:,:,11) = RESHAPE( (/1.0/), (/1, 1/) )
321 0 : Irr(4)%mat(:,:,12) = RESHAPE( (/1.0/), (/1, 1/) )
322 0 : Irr(4)%mat(:,:,13) = RESHAPE( (/-1.0/), (/1, 1/) )
323 0 : Irr(4)%mat(:,:,14) = RESHAPE( (/-1.0/), (/1, 1/) )
324 0 : Irr(4)%mat(:,:,15) = RESHAPE( (/-1.0/), (/1, 1/) )
325 0 : Irr(4)%mat(:,:,16) = RESHAPE( (/-1.0/), (/1, 1/) )
326 0 : Irr(4)%mat(:,:,17) = RESHAPE( (/-1.0/), (/1, 1/) )
327 0 : Irr(4)%mat(:,:,18) = RESHAPE( (/-1.0/), (/1, 1/) )
328 0 : Irr(4)%mat(:,:,19) = RESHAPE( (/-1.0/), (/1, 1/) )
329 0 : Irr(4)%mat(:,:,20) = RESHAPE( (/-1.0/), (/1, 1/) )
330 0 : Irr(4)%mat(:,:,21) = RESHAPE( (/-1.0/), (/1, 1/) )
331 0 : Irr(4)%mat(:,:,22) = RESHAPE( (/-1.0/), (/1, 1/) )
332 0 : Irr(4)%mat(:,:,23) = RESHAPE( (/-1.0/), (/1, 1/) )
333 0 : Irr(4)%mat(:,:,24) = RESHAPE( (/-1.0/), (/1, 1/) )
334 0 : Irr(4)%mat(:,:,25) = RESHAPE( (/-1.0/), (/1, 1/) )
335 0 : Irr(4)%mat(:,:,26) = RESHAPE( (/-1.0/), (/1, 1/) )
336 0 : Irr(4)%mat(:,:,27) = RESHAPE( (/-1.0/), (/1, 1/) )
337 0 : Irr(4)%mat(:,:,28) = RESHAPE( (/-1.0/), (/1, 1/) )
338 0 : Irr(4)%mat(:,:,29) = RESHAPE( (/-1.0/), (/1, 1/) )
339 0 : Irr(4)%mat(:,:,30) = RESHAPE( (/-1.0/), (/1, 1/) )
340 0 : Irr(4)%mat(:,:,31) = RESHAPE( (/-1.0/), (/1, 1/) )
341 0 : Irr(4)%mat(:,:,32) = RESHAPE( (/-1.0/), (/1, 1/) )
342 0 : Irr(4)%mat(:,:,33) = RESHAPE( (/-1.0/), (/1, 1/) )
343 0 : Irr(4)%mat(:,:,34) = RESHAPE( (/-1.0/), (/1, 1/) )
344 0 : Irr(4)%mat(:,:,35) = RESHAPE( (/-1.0/), (/1, 1/) )
345 0 : Irr(4)%mat(:,:,36) = RESHAPE( (/-1.0/), (/1, 1/) )
346 0 : Irr(4)%mat(:,:,37) = RESHAPE( (/1.0/), (/1, 1/) )
347 0 : Irr(4)%mat(:,:,38) = RESHAPE( (/1.0/), (/1, 1/) )
348 0 : Irr(4)%mat(:,:,39) = RESHAPE( (/1.0/), (/1, 1/) )
349 0 : Irr(4)%mat(:,:,40) = RESHAPE( (/1.0/), (/1, 1/) )
350 0 : Irr(4)%mat(:,:,41) = RESHAPE( (/1.0/), (/1, 1/) )
351 0 : Irr(4)%mat(:,:,42) = RESHAPE( (/1.0/), (/1, 1/) )
352 0 : Irr(4)%mat(:,:,43) = RESHAPE( (/1.0/), (/1, 1/) )
353 0 : Irr(4)%mat(:,:,44) = RESHAPE( (/1.0/), (/1, 1/) )
354 0 : Irr(4)%mat(:,:,45) = RESHAPE( (/1.0/), (/1, 1/) )
355 0 : Irr(4)%mat(:,:,46) = RESHAPE( (/1.0/), (/1, 1/) )
356 0 : Irr(4)%mat(:,:,47) = RESHAPE( (/1.0/), (/1, 1/) )
357 0 : Irr(4)%mat(:,:,48) = RESHAPE( (/1.0/), (/1, 1/) )
358 :
359 0 : Irr(5)%name = "Eu"
360 0 : Irr(5)%dim = 2
361 0 : Irr(5)%nsym = 48
362 0 : ABI_MALLOC(Irr(5)%mat, (2,2,48))
363 0 : Irr(5)%mat(:,:,1) = RESHAPE( (/1.0, 0.0, 0.0, 1.0/), (/2, 2/) )
364 0 : Irr(5)%mat(:,:,2) = RESHAPE( (/1.0, 0.0, 0.0, 1.0/), (/2, 2/) )
365 0 : Irr(5)%mat(:,:,3) = RESHAPE( (/1.0, 0.0, 0.0, 1.0/), (/2, 2/) )
366 0 : Irr(5)%mat(:,:,4) = RESHAPE( (/1.0, 0.0, 0.0, 1.0/), (/2, 2/) )
367 0 : Irr(5)%mat(:,:,5) = RESHAPE( (/-0.5+0.86603*j, 0*j, 0*j, -0.5-0.86603*j/), (/2, 2/) )
368 0 : Irr(5)%mat(:,:,6) = RESHAPE( (/-0.5+0.86603*j, 0*j, 0*j, -0.5-0.86603*j/), (/2, 2/) )
369 0 : Irr(5)%mat(:,:,7) = RESHAPE( (/-0.5+0.86603*j, 0*j, 0*j, -0.5-0.86603*j/), (/2, 2/) )
370 0 : Irr(5)%mat(:,:,8) = RESHAPE( (/-0.5+0.86603*j, 0*j, 0*j, -0.5-0.86603*j/), (/2, 2/) )
371 0 : Irr(5)%mat(:,:,9) = RESHAPE( (/-0.5-0.86603*j, 0*j, 0*j, -0.5+0.86603*j/), (/2, 2/) )
372 0 : Irr(5)%mat(:,:,10) = RESHAPE( (/-0.5-0.86603*j, 0*j, 0*j, -0.5+0.86603*j/), (/2, 2/) )
373 0 : Irr(5)%mat(:,:,11) = RESHAPE( (/-0.5-0.86603*j, 0*j, 0*j, -0.5+0.86603*j/), (/2, 2/) )
374 0 : Irr(5)%mat(:,:,12) = RESHAPE( (/-0.5-0.86603*j, 0*j, 0*j, -0.5+0.86603*j/), (/2, 2/) )
375 0 : Irr(5)%mat(:,:,13) = RESHAPE( (/0.0, 1.0, 1.0, 0.0/), (/2, 2/) )
376 0 : Irr(5)%mat(:,:,14) = RESHAPE( (/0.0, 1.0, 1.0, 0.0/), (/2, 2/) )
377 0 : Irr(5)%mat(:,:,15) = RESHAPE( (/0*j, -0.5+0.86603*j, -0.5-0.86603*j, 0*j/), (/2, 2/) )
378 0 : Irr(5)%mat(:,:,16) = RESHAPE( (/0*j, -0.5+0.86603*j, -0.5-0.86603*j, 0*j/), (/2, 2/) )
379 0 : Irr(5)%mat(:,:,17) = RESHAPE( (/0*j, -0.5-0.86603*j, -0.5+0.86603*j, 0*j/), (/2, 2/) )
380 0 : Irr(5)%mat(:,:,18) = RESHAPE( (/0*j, -0.5-0.86603*j, -0.5+0.86603*j, 0*j/), (/2, 2/) )
381 0 : Irr(5)%mat(:,:,19) = RESHAPE( (/0.0, 1.0, 1.0, 0.0/), (/2, 2/) )
382 0 : Irr(5)%mat(:,:,20) = RESHAPE( (/0.0, 1.0, 1.0, 0.0/), (/2, 2/) )
383 0 : Irr(5)%mat(:,:,21) = RESHAPE( (/0*j, -0.5+0.86603*j, -0.5-0.86603*j, 0*j/), (/2, 2/) )
384 0 : Irr(5)%mat(:,:,22) = RESHAPE( (/0*j, -0.5+0.86603*j, -0.5-0.86603*j, 0*j/), (/2, 2/) )
385 0 : Irr(5)%mat(:,:,23) = RESHAPE( (/0*j, -0.5-0.86603*j, -0.5+0.86603*j, 0*j/), (/2, 2/) )
386 0 : Irr(5)%mat(:,:,24) = RESHAPE( (/0*j, -0.5-0.86603*j, -0.5+0.86603*j, 0*j/), (/2, 2/) )
387 0 : Irr(5)%mat(:,:,25) = RESHAPE( (/-1.0, 0.0, 0.0, -1.0/), (/2, 2/) )
388 0 : Irr(5)%mat(:,:,26) = RESHAPE( (/-1.0, 0.0, 0.0, -1.0/), (/2, 2/) )
389 0 : Irr(5)%mat(:,:,27) = RESHAPE( (/-1.0, 0.0, 0.0, -1.0/), (/2, 2/) )
390 0 : Irr(5)%mat(:,:,28) = RESHAPE( (/-1.0, 0.0, 0.0, -1.0/), (/2, 2/) )
391 0 : Irr(5)%mat(:,:,29) = RESHAPE( (/0.5-0.86603*j, 0*j, 0*j, 0.5+0.86603*j/), (/2, 2/) )
392 0 : Irr(5)%mat(:,:,30) = RESHAPE( (/0.5-0.86603*j, 0*j, 0*j, 0.5+0.86603*j/), (/2, 2/) )
393 0 : Irr(5)%mat(:,:,31) = RESHAPE( (/0.5-0.86603*j, 0*j, 0*j, 0.5+0.86603*j/), (/2, 2/) )
394 0 : Irr(5)%mat(:,:,32) = RESHAPE( (/0.5-0.86603*j, 0*j, 0*j, 0.5+0.86603*j/), (/2, 2/) )
395 0 : Irr(5)%mat(:,:,33) = RESHAPE( (/0.5+0.86603*j, 0*j, 0*j, 0.5-0.86603*j/), (/2, 2/) )
396 0 : Irr(5)%mat(:,:,34) = RESHAPE( (/0.5+0.86603*j, 0*j, 0*j, 0.5-0.86603*j/), (/2, 2/) )
397 0 : Irr(5)%mat(:,:,35) = RESHAPE( (/0.5+0.86603*j, 0*j, 0*j, 0.5-0.86603*j/), (/2, 2/) )
398 0 : Irr(5)%mat(:,:,36) = RESHAPE( (/0.5+0.86603*j, 0*j, 0*j, 0.5-0.86603*j/), (/2, 2/) )
399 0 : Irr(5)%mat(:,:,37) = RESHAPE( (/0.0, -1.0, -1.0, 0.0/), (/2, 2/) )
400 0 : Irr(5)%mat(:,:,38) = RESHAPE( (/0.0, -1.0, -1.0, 0.0/), (/2, 2/) )
401 0 : Irr(5)%mat(:,:,39) = RESHAPE( (/0*j, 0.5-0.86603*j, 0.5+0.86603*j, 0*j/), (/2, 2/) )
402 0 : Irr(5)%mat(:,:,40) = RESHAPE( (/0*j, 0.5-0.86603*j, 0.5+0.86603*j, 0*j/), (/2, 2/) )
403 0 : Irr(5)%mat(:,:,41) = RESHAPE( (/0*j, 0.5+0.86603*j, 0.5-0.86603*j, 0*j/), (/2, 2/) )
404 0 : Irr(5)%mat(:,:,42) = RESHAPE( (/0*j, 0.5+0.86603*j, 0.5-0.86603*j, 0*j/), (/2, 2/) )
405 0 : Irr(5)%mat(:,:,43) = RESHAPE( (/0.0, -1.0, -1.0, 0.0/), (/2, 2/) )
406 0 : Irr(5)%mat(:,:,44) = RESHAPE( (/0.0, -1.0, -1.0, 0.0/), (/2, 2/) )
407 0 : Irr(5)%mat(:,:,45) = RESHAPE( (/0*j, 0.5-0.86603*j, 0.5+0.86603*j, 0*j/), (/2, 2/) )
408 0 : Irr(5)%mat(:,:,46) = RESHAPE( (/0*j, 0.5-0.86603*j, 0.5+0.86603*j, 0*j/), (/2, 2/) )
409 0 : Irr(5)%mat(:,:,47) = RESHAPE( (/0*j, 0.5+0.86603*j, 0.5-0.86603*j, 0*j/), (/2, 2/) )
410 0 : Irr(5)%mat(:,:,48) = RESHAPE( (/0*j, 0.5+0.86603*j, 0.5-0.86603*j, 0*j/), (/2, 2/) )
411 :
412 0 : Irr(6)%name = "Eg"
413 0 : Irr(6)%dim = 2
414 0 : Irr(6)%nsym = 48
415 0 : ABI_MALLOC(Irr(6)%mat, (2,2,48))
416 0 : Irr(6)%mat(:,:,1) = RESHAPE( (/1.0, 0.0, 0.0, 1.0/), (/2, 2/) )
417 0 : Irr(6)%mat(:,:,2) = RESHAPE( (/1.0, 0.0, 0.0, 1.0/), (/2, 2/) )
418 0 : Irr(6)%mat(:,:,3) = RESHAPE( (/1.0, 0.0, 0.0, 1.0/), (/2, 2/) )
419 0 : Irr(6)%mat(:,:,4) = RESHAPE( (/1.0, 0.0, 0.0, 1.0/), (/2, 2/) )
420 0 : Irr(6)%mat(:,:,5) = RESHAPE( (/-0.5+0.86603*j, 0*j, 0*j, -0.5-0.86603*j/), (/2, 2/) )
421 0 : Irr(6)%mat(:,:,6) = RESHAPE( (/-0.5+0.86603*j, 0*j, 0*j, -0.5-0.86603*j/), (/2, 2/) )
422 0 : Irr(6)%mat(:,:,7) = RESHAPE( (/-0.5+0.86603*j, 0*j, 0*j, -0.5-0.86603*j/), (/2, 2/) )
423 0 : Irr(6)%mat(:,:,8) = RESHAPE( (/-0.5+0.86603*j, 0*j, 0*j, -0.5-0.86603*j/), (/2, 2/) )
424 0 : Irr(6)%mat(:,:,9) = RESHAPE( (/-0.5-0.86603*j, 0*j, 0*j, -0.5+0.86603*j/), (/2, 2/) )
425 0 : Irr(6)%mat(:,:,10) = RESHAPE( (/-0.5-0.86603*j, 0*j, 0*j, -0.5+0.86603*j/), (/2, 2/) )
426 0 : Irr(6)%mat(:,:,11) = RESHAPE( (/-0.5-0.86603*j, 0*j, 0*j, -0.5+0.86603*j/), (/2, 2/) )
427 0 : Irr(6)%mat(:,:,12) = RESHAPE( (/-0.5-0.86603*j, 0*j, 0*j, -0.5+0.86603*j/), (/2, 2/) )
428 0 : Irr(6)%mat(:,:,13) = RESHAPE( (/0.0, 1.0, 1.0, 0.0/), (/2, 2/) )
429 0 : Irr(6)%mat(:,:,14) = RESHAPE( (/0.0, 1.0, 1.0, 0.0/), (/2, 2/) )
430 0 : Irr(6)%mat(:,:,15) = RESHAPE( (/0*j, -0.5+0.86603*j, -0.5-0.86603*j, 0*j/), (/2, 2/) )
431 0 : Irr(6)%mat(:,:,16) = RESHAPE( (/0*j, -0.5+0.86603*j, -0.5-0.86603*j, 0*j/), (/2, 2/) )
432 0 : Irr(6)%mat(:,:,17) = RESHAPE( (/0*j, -0.5-0.86603*j, -0.5+0.86603*j, 0*j/), (/2, 2/) )
433 0 : Irr(6)%mat(:,:,18) = RESHAPE( (/0*j, -0.5-0.86603*j, -0.5+0.86603*j, 0*j/), (/2, 2/) )
434 0 : Irr(6)%mat(:,:,19) = RESHAPE( (/0.0, 1.0, 1.0, 0.0/), (/2, 2/) )
435 0 : Irr(6)%mat(:,:,20) = RESHAPE( (/0.0, 1.0, 1.0, 0.0/), (/2, 2/) )
436 0 : Irr(6)%mat(:,:,21) = RESHAPE( (/0*j, -0.5+0.86603*j, -0.5-0.86603*j, 0*j/), (/2, 2/) )
437 0 : Irr(6)%mat(:,:,22) = RESHAPE( (/0*j, -0.5+0.86603*j, -0.5-0.86603*j, 0*j/), (/2, 2/) )
438 0 : Irr(6)%mat(:,:,23) = RESHAPE( (/0*j, -0.5-0.86603*j, -0.5+0.86603*j, 0*j/), (/2, 2/) )
439 0 : Irr(6)%mat(:,:,24) = RESHAPE( (/0*j, -0.5-0.86603*j, -0.5+0.86603*j, 0*j/), (/2, 2/) )
440 0 : Irr(6)%mat(:,:,25) = RESHAPE( (/1.0, 0.0, 0.0, 1.0/), (/2, 2/) )
441 0 : Irr(6)%mat(:,:,26) = RESHAPE( (/1.0, 0.0, 0.0, 1.0/), (/2, 2/) )
442 0 : Irr(6)%mat(:,:,27) = RESHAPE( (/1.0, 0.0, 0.0, 1.0/), (/2, 2/) )
443 0 : Irr(6)%mat(:,:,28) = RESHAPE( (/1.0, 0.0, 0.0, 1.0/), (/2, 2/) )
444 0 : Irr(6)%mat(:,:,29) = RESHAPE( (/-0.5+0.86603*j, 0*j, 0*j, -0.5-0.86603*j/), (/2, 2/) )
445 0 : Irr(6)%mat(:,:,30) = RESHAPE( (/-0.5+0.86603*j, 0*j, 0*j, -0.5-0.86603*j/), (/2, 2/) )
446 0 : Irr(6)%mat(:,:,31) = RESHAPE( (/-0.5+0.86603*j, 0*j, 0*j, -0.5-0.86603*j/), (/2, 2/) )
447 0 : Irr(6)%mat(:,:,32) = RESHAPE( (/-0.5+0.86603*j, 0*j, 0*j, -0.5-0.86603*j/), (/2, 2/) )
448 0 : Irr(6)%mat(:,:,33) = RESHAPE( (/-0.5-0.86603*j, 0*j, 0*j, -0.5+0.86603*j/), (/2, 2/) )
449 0 : Irr(6)%mat(:,:,34) = RESHAPE( (/-0.5-0.86603*j, 0*j, 0*j, -0.5+0.86603*j/), (/2, 2/) )
450 0 : Irr(6)%mat(:,:,35) = RESHAPE( (/-0.5-0.86603*j, 0*j, 0*j, -0.5+0.86603*j/), (/2, 2/) )
451 0 : Irr(6)%mat(:,:,36) = RESHAPE( (/-0.5-0.86603*j, 0*j, 0*j, -0.5+0.86603*j/), (/2, 2/) )
452 0 : Irr(6)%mat(:,:,37) = RESHAPE( (/0.0, 1.0, 1.0, 0.0/), (/2, 2/) )
453 0 : Irr(6)%mat(:,:,38) = RESHAPE( (/0.0, 1.0, 1.0, 0.0/), (/2, 2/) )
454 0 : Irr(6)%mat(:,:,39) = RESHAPE( (/0*j, -0.5+0.86603*j, -0.5-0.86603*j, 0*j/), (/2, 2/) )
455 0 : Irr(6)%mat(:,:,40) = RESHAPE( (/0*j, -0.5+0.86603*j, -0.5-0.86603*j, 0*j/), (/2, 2/) )
456 0 : Irr(6)%mat(:,:,41) = RESHAPE( (/0*j, -0.5-0.86603*j, -0.5+0.86603*j, 0*j/), (/2, 2/) )
457 0 : Irr(6)%mat(:,:,42) = RESHAPE( (/0*j, -0.5-0.86603*j, -0.5+0.86603*j, 0*j/), (/2, 2/) )
458 0 : Irr(6)%mat(:,:,43) = RESHAPE( (/0.0, 1.0, 1.0, 0.0/), (/2, 2/) )
459 0 : Irr(6)%mat(:,:,44) = RESHAPE( (/0.0, 1.0, 1.0, 0.0/), (/2, 2/) )
460 0 : Irr(6)%mat(:,:,45) = RESHAPE( (/0*j, -0.5+0.86603*j, -0.5-0.86603*j, 0*j/), (/2, 2/) )
461 0 : Irr(6)%mat(:,:,46) = RESHAPE( (/0*j, -0.5+0.86603*j, -0.5-0.86603*j, 0*j/), (/2, 2/) )
462 0 : Irr(6)%mat(:,:,47) = RESHAPE( (/0*j, -0.5-0.86603*j, -0.5+0.86603*j, 0*j/), (/2, 2/) )
463 0 : Irr(6)%mat(:,:,48) = RESHAPE( (/0*j, -0.5-0.86603*j, -0.5+0.86603*j, 0*j/), (/2, 2/) )
464 :
465 0 : Irr(7)%name = "T2u"
466 0 : Irr(7)%dim = 3
467 0 : Irr(7)%nsym = 48
468 0 : ABI_MALLOC(Irr(7)%mat, (3,3,48))
469 0 : Irr(7)%mat(:,:,1) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) )
470 0 : Irr(7)%mat(:,:,2) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, -1.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) )
471 0 : Irr(7)%mat(:,:,3) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) )
472 0 : Irr(7)%mat(:,:,4) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, -1.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) )
473 0 : Irr(7)%mat(:,:,5) = RESHAPE( (/0.0, 1.0, 0.0, 0.0, 0.0, 1.0, 1.0, 0.0, 0.0/), (/3, 3/) )
474 0 : Irr(7)%mat(:,:,6) = RESHAPE( (/0.0, 1.0, 0.0, 0.0, 0.0, -1.0, -1.0, 0.0, 0.0/), (/3, 3/) )
475 0 : Irr(7)%mat(:,:,7) = RESHAPE( (/0.0, -1.0, 0.0, 0.0, 0.0, 1.0, -1.0, 0.0, 0.0/), (/3, 3/) )
476 0 : Irr(7)%mat(:,:,8) = RESHAPE( (/0.0, -1.0, 0.0, 0.0, 0.0, -1.0, 1.0, 0.0, 0.0/), (/3, 3/) )
477 0 : Irr(7)%mat(:,:,9) = RESHAPE( (/0.0, 0.0, 1.0, 1.0, 0.0, 0.0, 0.0, 1.0, 0.0/), (/3, 3/) )
478 0 : Irr(7)%mat(:,:,10) = RESHAPE( (/0.0, 0.0, 1.0, -1.0, 0.0, 0.0, 0.0, -1.0, 0.0/), (/3, 3/) )
479 0 : Irr(7)%mat(:,:,11) = RESHAPE( (/0.0, 0.0, -1.0, 1.0, 0.0, 0.0, 0.0, -1.0, 0.0/), (/3, 3/) )
480 0 : Irr(7)%mat(:,:,12) = RESHAPE( (/0.0, 0.0, -1.0, -1.0, 0.0, 0.0, 0.0, 1.0, 0.0/), (/3, 3/) )
481 0 : Irr(7)%mat(:,:,13) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, 0.0, -1.0, 0.0, -1.0, 0.0/), (/3, 3/) )
482 0 : Irr(7)%mat(:,:,14) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 1.0, 0.0/), (/3, 3/) )
483 0 : Irr(7)%mat(:,:,15) = RESHAPE( (/0.0, 0.0, -1.0, 0.0, 1.0, 0.0, -1.0, 0.0, 0.0/), (/3, 3/) )
484 0 : Irr(7)%mat(:,:,16) = RESHAPE( (/0.0, 0.0, 1.0, 0.0, 1.0, 0.0, 1.0, 0.0, 0.0/), (/3, 3/) )
485 0 : Irr(7)%mat(:,:,17) = RESHAPE( (/0.0, -1.0, 0.0, -1.0, 0.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) )
486 0 : Irr(7)%mat(:,:,18) = RESHAPE( (/0.0, 1.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) )
487 0 : Irr(7)%mat(:,:,19) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, 0.0, -1.0, 0.0, 1.0, 0.0/), (/3, 3/) )
488 0 : Irr(7)%mat(:,:,20) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, -1.0, 0.0/), (/3, 3/) )
489 0 : Irr(7)%mat(:,:,21) = RESHAPE( (/0.0, 0.0, -1.0, 0.0, -1.0, 0.0, 1.0, 0.0, 0.0/), (/3, 3/) )
490 0 : Irr(7)%mat(:,:,22) = RESHAPE( (/0.0, 0.0, 1.0, 0.0, -1.0, 0.0, -1.0, 0.0, 0.0/), (/3, 3/) )
491 0 : Irr(7)%mat(:,:,23) = RESHAPE( (/0.0, -1.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) )
492 0 : Irr(7)%mat(:,:,24) = RESHAPE( (/0.0, 1.0, 0.0, -1.0, 0.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) )
493 0 : Irr(7)%mat(:,:,25) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, -1.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) )
494 0 : Irr(7)%mat(:,:,26) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) )
495 0 : Irr(7)%mat(:,:,27) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, -1.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) )
496 0 : Irr(7)%mat(:,:,28) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) )
497 0 : Irr(7)%mat(:,:,29) = RESHAPE( (/0.0, -1.0, 0.0, 0.0, 0.0, -1.0, -1.0, 0.0, 0.0/), (/3, 3/) )
498 0 : Irr(7)%mat(:,:,30) = RESHAPE( (/0.0, -1.0, 0.0, 0.0, 0.0, 1.0, 1.0, 0.0, 0.0/), (/3, 3/) )
499 0 : Irr(7)%mat(:,:,31) = RESHAPE( (/0.0, 1.0, 0.0, 0.0, 0.0, -1.0, 1.0, 0.0, 0.0/), (/3, 3/) )
500 0 : Irr(7)%mat(:,:,32) = RESHAPE( (/0.0, 1.0, 0.0, 0.0, 0.0, 1.0, -1.0, 0.0, 0.0/), (/3, 3/) )
501 0 : Irr(7)%mat(:,:,33) = RESHAPE( (/0.0, 0.0, -1.0, -1.0, 0.0, 0.0, 0.0, -1.0, 0.0/), (/3, 3/) )
502 0 : Irr(7)%mat(:,:,34) = RESHAPE( (/0.0, 0.0, -1.0, 1.0, 0.0, 0.0, 0.0, 1.0, 0.0/), (/3, 3/) )
503 0 : Irr(7)%mat(:,:,35) = RESHAPE( (/0.0, 0.0, 1.0, -1.0, 0.0, 0.0, 0.0, 1.0, 0.0/), (/3, 3/) )
504 0 : Irr(7)%mat(:,:,36) = RESHAPE( (/0.0, 0.0, 1.0, 1.0, 0.0, 0.0, 0.0, -1.0, 0.0/), (/3, 3/) )
505 0 : Irr(7)%mat(:,:,37) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 1.0, 0.0/), (/3, 3/) )
506 0 : Irr(7)%mat(:,:,38) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, 0.0, -1.0, 0.0, -1.0, 0.0/), (/3, 3/) )
507 0 : Irr(7)%mat(:,:,39) = RESHAPE( (/0.0, 0.0, 1.0, 0.0, -1.0, 0.0, 1.0, 0.0, 0.0/), (/3, 3/) )
508 0 : Irr(7)%mat(:,:,40) = RESHAPE( (/0.0, 0.0, -1.0, 0.0, -1.0, 0.0, -1.0, 0.0, 0.0/), (/3, 3/) )
509 0 : Irr(7)%mat(:,:,41) = RESHAPE( (/0.0, 1.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) )
510 0 : Irr(7)%mat(:,:,42) = RESHAPE( (/0.0, -1.0, 0.0, -1.0, 0.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) )
511 0 : Irr(7)%mat(:,:,43) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, -1.0, 0.0/), (/3, 3/) )
512 0 : Irr(7)%mat(:,:,44) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, 0.0, -1.0, 0.0, 1.0, 0.0/), (/3, 3/) )
513 0 : Irr(7)%mat(:,:,45) = RESHAPE( (/0.0, 0.0, 1.0, 0.0, 1.0, 0.0, -1.0, 0.0, 0.0/), (/3, 3/) )
514 0 : Irr(7)%mat(:,:,46) = RESHAPE( (/0.0, 0.0, -1.0, 0.0, 1.0, 0.0, 1.0, 0.0, 0.0/), (/3, 3/) )
515 0 : Irr(7)%mat(:,:,47) = RESHAPE( (/0.0, 1.0, 0.0, -1.0, 0.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) )
516 0 : Irr(7)%mat(:,:,48) = RESHAPE( (/0.0, -1.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) )
517 :
518 0 : Irr(8)%name = "T2g"
519 0 : Irr(8)%dim = 3
520 0 : Irr(8)%nsym = 48
521 0 : ABI_MALLOC(Irr(8)%mat, (3,3,48))
522 0 : Irr(8)%mat(:,:,1) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) )
523 0 : Irr(8)%mat(:,:,2) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, -1.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) )
524 0 : Irr(8)%mat(:,:,3) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) )
525 0 : Irr(8)%mat(:,:,4) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, -1.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) )
526 0 : Irr(8)%mat(:,:,5) = RESHAPE( (/0.0, 1.0, 0.0, 0.0, 0.0, 1.0, 1.0, 0.0, 0.0/), (/3, 3/) )
527 0 : Irr(8)%mat(:,:,6) = RESHAPE( (/0.0, 1.0, 0.0, 0.0, 0.0, -1.0, -1.0, 0.0, 0.0/), (/3, 3/) )
528 0 : Irr(8)%mat(:,:,7) = RESHAPE( (/0.0, -1.0, 0.0, 0.0, 0.0, 1.0, -1.0, 0.0, 0.0/), (/3, 3/) )
529 0 : Irr(8)%mat(:,:,8) = RESHAPE( (/0.0, -1.0, 0.0, 0.0, 0.0, -1.0, 1.0, 0.0, 0.0/), (/3, 3/) )
530 0 : Irr(8)%mat(:,:,9) = RESHAPE( (/0.0, 0.0, 1.0, 1.0, 0.0, 0.0, 0.0, 1.0, 0.0/), (/3, 3/) )
531 0 : Irr(8)%mat(:,:,10) = RESHAPE( (/0.0, 0.0, 1.0, -1.0, 0.0, 0.0, 0.0, -1.0, 0.0/), (/3, 3/) )
532 0 : Irr(8)%mat(:,:,11) = RESHAPE( (/0.0, 0.0, -1.0, 1.0, 0.0, 0.0, 0.0, -1.0, 0.0/), (/3, 3/) )
533 0 : Irr(8)%mat(:,:,12) = RESHAPE( (/0.0, 0.0, -1.0, -1.0, 0.0, 0.0, 0.0, 1.0, 0.0/), (/3, 3/) )
534 0 : Irr(8)%mat(:,:,13) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, 0.0, -1.0, 0.0, -1.0, 0.0/), (/3, 3/) )
535 0 : Irr(8)%mat(:,:,14) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 1.0, 0.0/), (/3, 3/) )
536 0 : Irr(8)%mat(:,:,15) = RESHAPE( (/0.0, 0.0, -1.0, 0.0, 1.0, 0.0, -1.0, 0.0, 0.0/), (/3, 3/) )
537 0 : Irr(8)%mat(:,:,16) = RESHAPE( (/0.0, 0.0, 1.0, 0.0, 1.0, 0.0, 1.0, 0.0, 0.0/), (/3, 3/) )
538 0 : Irr(8)%mat(:,:,17) = RESHAPE( (/0.0, -1.0, 0.0, -1.0, 0.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) )
539 0 : Irr(8)%mat(:,:,18) = RESHAPE( (/0.0, 1.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) )
540 0 : Irr(8)%mat(:,:,19) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, 0.0, -1.0, 0.0, 1.0, 0.0/), (/3, 3/) )
541 0 : Irr(8)%mat(:,:,20) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, -1.0, 0.0/), (/3, 3/) )
542 0 : Irr(8)%mat(:,:,21) = RESHAPE( (/0.0, 0.0, -1.0, 0.0, -1.0, 0.0, 1.0, 0.0, 0.0/), (/3, 3/) )
543 0 : Irr(8)%mat(:,:,22) = RESHAPE( (/0.0, 0.0, 1.0, 0.0, -1.0, 0.0, -1.0, 0.0, 0.0/), (/3, 3/) )
544 0 : Irr(8)%mat(:,:,23) = RESHAPE( (/0.0, -1.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) )
545 0 : Irr(8)%mat(:,:,24) = RESHAPE( (/0.0, 1.0, 0.0, -1.0, 0.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) )
546 0 : Irr(8)%mat(:,:,25) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) )
547 0 : Irr(8)%mat(:,:,26) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, -1.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) )
548 0 : Irr(8)%mat(:,:,27) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) )
549 0 : Irr(8)%mat(:,:,28) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, -1.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) )
550 0 : Irr(8)%mat(:,:,29) = RESHAPE( (/0.0, 1.0, 0.0, 0.0, 0.0, 1.0, 1.0, 0.0, 0.0/), (/3, 3/) )
551 0 : Irr(8)%mat(:,:,30) = RESHAPE( (/0.0, 1.0, 0.0, 0.0, 0.0, -1.0, -1.0, 0.0, 0.0/), (/3, 3/) )
552 0 : Irr(8)%mat(:,:,31) = RESHAPE( (/0.0, -1.0, 0.0, 0.0, 0.0, 1.0, -1.0, 0.0, 0.0/), (/3, 3/) )
553 0 : Irr(8)%mat(:,:,32) = RESHAPE( (/0.0, -1.0, 0.0, 0.0, 0.0, -1.0, 1.0, 0.0, 0.0/), (/3, 3/) )
554 0 : Irr(8)%mat(:,:,33) = RESHAPE( (/0.0, 0.0, 1.0, 1.0, 0.0, 0.0, 0.0, 1.0, 0.0/), (/3, 3/) )
555 0 : Irr(8)%mat(:,:,34) = RESHAPE( (/0.0, 0.0, 1.0, -1.0, 0.0, 0.0, 0.0, -1.0, 0.0/), (/3, 3/) )
556 0 : Irr(8)%mat(:,:,35) = RESHAPE( (/0.0, 0.0, -1.0, 1.0, 0.0, 0.0, 0.0, -1.0, 0.0/), (/3, 3/) )
557 0 : Irr(8)%mat(:,:,36) = RESHAPE( (/0.0, 0.0, -1.0, -1.0, 0.0, 0.0, 0.0, 1.0, 0.0/), (/3, 3/) )
558 0 : Irr(8)%mat(:,:,37) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, 0.0, -1.0, 0.0, -1.0, 0.0/), (/3, 3/) )
559 0 : Irr(8)%mat(:,:,38) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 1.0, 0.0/), (/3, 3/) )
560 0 : Irr(8)%mat(:,:,39) = RESHAPE( (/0.0, 0.0, -1.0, 0.0, 1.0, 0.0, -1.0, 0.0, 0.0/), (/3, 3/) )
561 0 : Irr(8)%mat(:,:,40) = RESHAPE( (/0.0, 0.0, 1.0, 0.0, 1.0, 0.0, 1.0, 0.0, 0.0/), (/3, 3/) )
562 0 : Irr(8)%mat(:,:,41) = RESHAPE( (/0.0, -1.0, 0.0, -1.0, 0.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) )
563 0 : Irr(8)%mat(:,:,42) = RESHAPE( (/0.0, 1.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) )
564 0 : Irr(8)%mat(:,:,43) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, 0.0, -1.0, 0.0, 1.0, 0.0/), (/3, 3/) )
565 0 : Irr(8)%mat(:,:,44) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, -1.0, 0.0/), (/3, 3/) )
566 0 : Irr(8)%mat(:,:,45) = RESHAPE( (/0.0, 0.0, -1.0, 0.0, -1.0, 0.0, 1.0, 0.0, 0.0/), (/3, 3/) )
567 0 : Irr(8)%mat(:,:,46) = RESHAPE( (/0.0, 0.0, 1.0, 0.0, -1.0, 0.0, -1.0, 0.0, 0.0/), (/3, 3/) )
568 0 : Irr(8)%mat(:,:,47) = RESHAPE( (/0.0, -1.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) )
569 0 : Irr(8)%mat(:,:,48) = RESHAPE( (/0.0, 1.0, 0.0, -1.0, 0.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) )
570 :
571 0 : Irr(9)%name = "T1u"
572 0 : Irr(9)%dim = 3
573 0 : Irr(9)%nsym = 48
574 0 : ABI_MALLOC(Irr(9)%mat, (3,3,48))
575 0 : Irr(9)%mat(:,:,1) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) )
576 0 : Irr(9)%mat(:,:,2) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, -1.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) )
577 0 : Irr(9)%mat(:,:,3) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) )
578 0 : Irr(9)%mat(:,:,4) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, -1.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) )
579 0 : Irr(9)%mat(:,:,5) = RESHAPE( (/0.0, 1.0, 0.0, 0.0, 0.0, 1.0, 1.0, 0.0, 0.0/), (/3, 3/) )
580 0 : Irr(9)%mat(:,:,6) = RESHAPE( (/0.0, 1.0, 0.0, 0.0, 0.0, -1.0, -1.0, 0.0, 0.0/), (/3, 3/) )
581 0 : Irr(9)%mat(:,:,7) = RESHAPE( (/0.0, -1.0, 0.0, 0.0, 0.0, 1.0, -1.0, 0.0, 0.0/), (/3, 3/) )
582 0 : Irr(9)%mat(:,:,8) = RESHAPE( (/0.0, -1.0, 0.0, 0.0, 0.0, -1.0, 1.0, 0.0, 0.0/), (/3, 3/) )
583 0 : Irr(9)%mat(:,:,9) = RESHAPE( (/0.0, 0.0, 1.0, 1.0, 0.0, 0.0, 0.0, 1.0, 0.0/), (/3, 3/) )
584 0 : Irr(9)%mat(:,:,10) = RESHAPE( (/0.0, 0.0, 1.0, -1.0, 0.0, 0.0, 0.0, -1.0, 0.0/), (/3, 3/) )
585 0 : Irr(9)%mat(:,:,11) = RESHAPE( (/0.0, 0.0, -1.0, 1.0, 0.0, 0.0, 0.0, -1.0, 0.0/), (/3, 3/) )
586 0 : Irr(9)%mat(:,:,12) = RESHAPE( (/0.0, 0.0, -1.0, -1.0, 0.0, 0.0, 0.0, 1.0, 0.0/), (/3, 3/) )
587 0 : Irr(9)%mat(:,:,13) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 1.0, 0.0/), (/3, 3/) )
588 0 : Irr(9)%mat(:,:,14) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, 0.0, -1.0, 0.0, -1.0, 0.0/), (/3, 3/) )
589 0 : Irr(9)%mat(:,:,15) = RESHAPE( (/0.0, 0.0, 1.0, 0.0, -1.0, 0.0, 1.0, 0.0, 0.0/), (/3, 3/) )
590 0 : Irr(9)%mat(:,:,16) = RESHAPE( (/0.0, 0.0, -1.0, 0.0, -1.0, 0.0, -1.0, 0.0, 0.0/), (/3, 3/) )
591 0 : Irr(9)%mat(:,:,17) = RESHAPE( (/0.0, 1.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) )
592 0 : Irr(9)%mat(:,:,18) = RESHAPE( (/0.0, -1.0, 0.0, -1.0, 0.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) )
593 0 : Irr(9)%mat(:,:,19) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, -1.0, 0.0/), (/3, 3/) )
594 0 : Irr(9)%mat(:,:,20) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, 0.0, -1.0, 0.0, 1.0, 0.0/), (/3, 3/) )
595 0 : Irr(9)%mat(:,:,21) = RESHAPE( (/0.0, 0.0, 1.0, 0.0, 1.0, 0.0, -1.0, 0.0, 0.0/), (/3, 3/) )
596 0 : Irr(9)%mat(:,:,22) = RESHAPE( (/0.0, 0.0, -1.0, 0.0, 1.0, 0.0, 1.0, 0.0, 0.0/), (/3, 3/) )
597 0 : Irr(9)%mat(:,:,23) = RESHAPE( (/0.0, 1.0, 0.0, -1.0, 0.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) )
598 0 : Irr(9)%mat(:,:,24) = RESHAPE( (/0.0, -1.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) )
599 0 : Irr(9)%mat(:,:,25) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, -1.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) )
600 0 : Irr(9)%mat(:,:,26) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) )
601 0 : Irr(9)%mat(:,:,27) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, -1.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) )
602 0 : Irr(9)%mat(:,:,28) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) )
603 0 : Irr(9)%mat(:,:,29) = RESHAPE( (/0.0, -1.0, 0.0, 0.0, 0.0, -1.0, -1.0, 0.0, 0.0/), (/3, 3/) )
604 0 : Irr(9)%mat(:,:,30) = RESHAPE( (/0.0, -1.0, 0.0, 0.0, 0.0, 1.0, 1.0, 0.0, 0.0/), (/3, 3/) )
605 0 : Irr(9)%mat(:,:,31) = RESHAPE( (/0.0, 1.0, 0.0, 0.0, 0.0, -1.0, 1.0, 0.0, 0.0/), (/3, 3/) )
606 0 : Irr(9)%mat(:,:,32) = RESHAPE( (/0.0, 1.0, 0.0, 0.0, 0.0, 1.0, -1.0, 0.0, 0.0/), (/3, 3/) )
607 0 : Irr(9)%mat(:,:,33) = RESHAPE( (/0.0, 0.0, -1.0, -1.0, 0.0, 0.0, 0.0, -1.0, 0.0/), (/3, 3/) )
608 0 : Irr(9)%mat(:,:,34) = RESHAPE( (/0.0, 0.0, -1.0, 1.0, 0.0, 0.0, 0.0, 1.0, 0.0/), (/3, 3/) )
609 0 : Irr(9)%mat(:,:,35) = RESHAPE( (/0.0, 0.0, 1.0, -1.0, 0.0, 0.0, 0.0, 1.0, 0.0/), (/3, 3/) )
610 0 : Irr(9)%mat(:,:,36) = RESHAPE( (/0.0, 0.0, 1.0, 1.0, 0.0, 0.0, 0.0, -1.0, 0.0/), (/3, 3/) )
611 0 : Irr(9)%mat(:,:,37) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, 0.0, -1.0, 0.0, -1.0, 0.0/), (/3, 3/) )
612 0 : Irr(9)%mat(:,:,38) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 1.0, 0.0/), (/3, 3/) )
613 0 : Irr(9)%mat(:,:,39) = RESHAPE( (/0.0, 0.0, -1.0, 0.0, 1.0, 0.0, -1.0, 0.0, 0.0/), (/3, 3/) )
614 0 : Irr(9)%mat(:,:,40) = RESHAPE( (/0.0, 0.0, 1.0, 0.0, 1.0, 0.0, 1.0, 0.0, 0.0/), (/3, 3/) )
615 0 : Irr(9)%mat(:,:,41) = RESHAPE( (/0.0, -1.0, 0.0, -1.0, 0.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) )
616 0 : Irr(9)%mat(:,:,42) = RESHAPE( (/0.0, 1.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) )
617 0 : Irr(9)%mat(:,:,43) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, 0.0, -1.0, 0.0, 1.0, 0.0/), (/3, 3/) )
618 0 : Irr(9)%mat(:,:,44) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, -1.0, 0.0/), (/3, 3/) )
619 0 : Irr(9)%mat(:,:,45) = RESHAPE( (/0.0, 0.0, -1.0, 0.0, -1.0, 0.0, 1.0, 0.0, 0.0/), (/3, 3/) )
620 0 : Irr(9)%mat(:,:,46) = RESHAPE( (/0.0, 0.0, 1.0, 0.0, -1.0, 0.0, -1.0, 0.0, 0.0/), (/3, 3/) )
621 0 : Irr(9)%mat(:,:,47) = RESHAPE( (/0.0, -1.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) )
622 0 : Irr(9)%mat(:,:,48) = RESHAPE( (/0.0, 1.0, 0.0, -1.0, 0.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) )
623 :
624 0 : Irr(10)%name = "T1g"
625 0 : Irr(10)%dim = 3
626 0 : Irr(10)%nsym = 48
627 0 : ABI_MALLOC(Irr(10)%mat, (3,3,48))
628 0 : Irr(10)%mat(:,:,1) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) )
629 0 : Irr(10)%mat(:,:,2) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, -1.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) )
630 0 : Irr(10)%mat(:,:,3) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) )
631 0 : Irr(10)%mat(:,:,4) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, -1.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) )
632 0 : Irr(10)%mat(:,:,5) = RESHAPE( (/0.0, 1.0, 0.0, 0.0, 0.0, 1.0, 1.0, 0.0, 0.0/), (/3, 3/) )
633 0 : Irr(10)%mat(:,:,6) = RESHAPE( (/0.0, 1.0, 0.0, 0.0, 0.0, -1.0, -1.0, 0.0, 0.0/), (/3, 3/) )
634 0 : Irr(10)%mat(:,:,7) = RESHAPE( (/0.0, -1.0, 0.0, 0.0, 0.0, 1.0, -1.0, 0.0, 0.0/), (/3, 3/) )
635 0 : Irr(10)%mat(:,:,8) = RESHAPE( (/0.0, -1.0, 0.0, 0.0, 0.0, -1.0, 1.0, 0.0, 0.0/), (/3, 3/) )
636 0 : Irr(10)%mat(:,:,9) = RESHAPE( (/0.0, 0.0, 1.0, 1.0, 0.0, 0.0, 0.0, 1.0, 0.0/), (/3, 3/) )
637 0 : Irr(10)%mat(:,:,10) = RESHAPE( (/0.0, 0.0, 1.0, -1.0, 0.0, 0.0, 0.0, -1.0, 0.0/), (/3, 3/) )
638 0 : Irr(10)%mat(:,:,11) = RESHAPE( (/0.0, 0.0, -1.0, 1.0, 0.0, 0.0, 0.0, -1.0, 0.0/), (/3, 3/) )
639 0 : Irr(10)%mat(:,:,12) = RESHAPE( (/0.0, 0.0, -1.0, -1.0, 0.0, 0.0, 0.0, 1.0, 0.0/), (/3, 3/) )
640 0 : Irr(10)%mat(:,:,13) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 1.0, 0.0/), (/3, 3/) )
641 0 : Irr(10)%mat(:,:,14) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, 0.0, -1.0, 0.0, -1.0, 0.0/), (/3, 3/) )
642 0 : Irr(10)%mat(:,:,15) = RESHAPE( (/0.0, 0.0, 1.0, 0.0, -1.0, 0.0, 1.0, 0.0, 0.0/), (/3, 3/) )
643 0 : Irr(10)%mat(:,:,16) = RESHAPE( (/0.0, 0.0, -1.0, 0.0, -1.0, 0.0, -1.0, 0.0, 0.0/), (/3, 3/) )
644 0 : Irr(10)%mat(:,:,17) = RESHAPE( (/0.0, 1.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) )
645 0 : Irr(10)%mat(:,:,18) = RESHAPE( (/0.0, -1.0, 0.0, -1.0, 0.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) )
646 0 : Irr(10)%mat(:,:,19) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, -1.0, 0.0/), (/3, 3/) )
647 0 : Irr(10)%mat(:,:,20) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, 0.0, -1.0, 0.0, 1.0, 0.0/), (/3, 3/) )
648 0 : Irr(10)%mat(:,:,21) = RESHAPE( (/0.0, 0.0, 1.0, 0.0, 1.0, 0.0, -1.0, 0.0, 0.0/), (/3, 3/) )
649 0 : Irr(10)%mat(:,:,22) = RESHAPE( (/0.0, 0.0, -1.0, 0.0, 1.0, 0.0, 1.0, 0.0, 0.0/), (/3, 3/) )
650 0 : Irr(10)%mat(:,:,23) = RESHAPE( (/0.0, 1.0, 0.0, -1.0, 0.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) )
651 0 : Irr(10)%mat(:,:,24) = RESHAPE( (/0.0, -1.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) )
652 0 : Irr(10)%mat(:,:,25) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) )
653 0 : Irr(10)%mat(:,:,26) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, -1.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) )
654 0 : Irr(10)%mat(:,:,27) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) )
655 0 : Irr(10)%mat(:,:,28) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, -1.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) )
656 0 : Irr(10)%mat(:,:,29) = RESHAPE( (/0.0, 1.0, 0.0, 0.0, 0.0, 1.0, 1.0, 0.0, 0.0/), (/3, 3/) )
657 0 : Irr(10)%mat(:,:,30) = RESHAPE( (/0.0, 1.0, 0.0, 0.0, 0.0, -1.0, -1.0, 0.0, 0.0/), (/3, 3/) )
658 0 : Irr(10)%mat(:,:,31) = RESHAPE( (/0.0, -1.0, 0.0, 0.0, 0.0, 1.0, -1.0, 0.0, 0.0/), (/3, 3/) )
659 0 : Irr(10)%mat(:,:,32) = RESHAPE( (/0.0, -1.0, 0.0, 0.0, 0.0, -1.0, 1.0, 0.0, 0.0/), (/3, 3/) )
660 0 : Irr(10)%mat(:,:,33) = RESHAPE( (/0.0, 0.0, 1.0, 1.0, 0.0, 0.0, 0.0, 1.0, 0.0/), (/3, 3/) )
661 0 : Irr(10)%mat(:,:,34) = RESHAPE( (/0.0, 0.0, 1.0, -1.0, 0.0, 0.0, 0.0, -1.0, 0.0/), (/3, 3/) )
662 0 : Irr(10)%mat(:,:,35) = RESHAPE( (/0.0, 0.0, -1.0, 1.0, 0.0, 0.0, 0.0, -1.0, 0.0/), (/3, 3/) )
663 0 : Irr(10)%mat(:,:,36) = RESHAPE( (/0.0, 0.0, -1.0, -1.0, 0.0, 0.0, 0.0, 1.0, 0.0/), (/3, 3/) )
664 0 : Irr(10)%mat(:,:,37) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 1.0, 0.0/), (/3, 3/) )
665 0 : Irr(10)%mat(:,:,38) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, 0.0, -1.0, 0.0, -1.0, 0.0/), (/3, 3/) )
666 0 : Irr(10)%mat(:,:,39) = RESHAPE( (/0.0, 0.0, 1.0, 0.0, -1.0, 0.0, 1.0, 0.0, 0.0/), (/3, 3/) )
667 0 : Irr(10)%mat(:,:,40) = RESHAPE( (/0.0, 0.0, -1.0, 0.0, -1.0, 0.0, -1.0, 0.0, 0.0/), (/3, 3/) )
668 0 : Irr(10)%mat(:,:,41) = RESHAPE( (/0.0, 1.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) )
669 0 : Irr(10)%mat(:,:,42) = RESHAPE( (/0.0, -1.0, 0.0, -1.0, 0.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) )
670 0 : Irr(10)%mat(:,:,43) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, -1.0, 0.0/), (/3, 3/) )
671 0 : Irr(10)%mat(:,:,44) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, 0.0, -1.0, 0.0, 1.0, 0.0/), (/3, 3/) )
672 0 : Irr(10)%mat(:,:,45) = RESHAPE( (/0.0, 0.0, 1.0, 0.0, 1.0, 0.0, -1.0, 0.0, 0.0/), (/3, 3/) )
673 0 : Irr(10)%mat(:,:,46) = RESHAPE( (/0.0, 0.0, -1.0, 0.0, 1.0, 0.0, 1.0, 0.0, 0.0/), (/3, 3/) )
674 0 : Irr(10)%mat(:,:,47) = RESHAPE( (/0.0, 1.0, 0.0, -1.0, 0.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) )
675 0 : Irr(10)%mat(:,:,48) = RESHAPE( (/0.0, -1.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) )
676 :
677 0 : RETURN
678 : if (.FALSE.) write(std_out,*) j
679 : end subroutine ptg_Oh
680 : !!***
681 :
682 : end module m_ptg_Oh
683 : !!***
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