Line data Source code
1 : !!****f* ABINIT/ptg_Th
2 : !!
3 : !! NAME
4 : !! ptg_Th
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 Th (m-3)
27 :
28 : #if defined HAVE_CONFIG_H
29 : #include "config.h"
30 : #endif
31 :
32 : #include "abi_common.h"
33 :
34 : module m_ptg_Th
35 :
36 : #ifdef FC_INTEL
37 : !DEC$ NOOPTIMIZE
38 : #endif
39 :
40 : contains
41 : !!**
42 :
43 0 : subroutine ptg_Th (nsym,nclass,sym,class_ids,class_names,Irr)
44 :
45 : use defs_basis
46 : use m_abicore
47 : use m_defs_ptgroups, only : irrep_t
48 : implicit none
49 : !Arguments ------------------------------------
50 : integer,intent(out) :: nclass,nsym
51 : !arrays
52 : integer,allocatable,intent(out) :: sym(:,:,:), class_ids(:,:)
53 : character(len=5),allocatable,intent(out) :: class_names(:)
54 : type(irrep_t),allocatable,intent(out) :: Irr(:)
55 : !Local variables-------------------------------
56 : complex(dp) :: j=(0.0_dp,1.0_dp)
57 : ! ********************************************************************************
58 : ! List of symmetries packed in classes
59 0 : nsym = 24
60 0 : ABI_MALLOC(sym, (3,3,nsym))
61 0 : sym(:,:,1) = RESHAPE( (/1, 0, 0, 0, 1, 0, 0, 0, 1/) ,(/3,3/) )
62 0 : sym(:,:,2) = RESHAPE( (/-1, 0, 0, 0, -1, 0, 0, 0, 1/) ,(/3,3/) )
63 0 : sym(:,:,3) = RESHAPE( (/-1, 0, 0, 0, 1, 0, 0, 0, -1/) ,(/3,3/) )
64 0 : sym(:,:,4) = RESHAPE( (/1, 0, 0, 0, -1, 0, 0, 0, -1/) ,(/3,3/) )
65 0 : sym(:,:,5) = RESHAPE( (/0, 1, 0, 0, 0, 1, 1, 0, 0/) ,(/3,3/) )
66 0 : sym(:,:,6) = RESHAPE( (/0, -1, 0, 0, 0, -1, 1, 0, 0/) ,(/3,3/) )
67 0 : sym(:,:,7) = RESHAPE( (/0, -1, 0, 0, 0, 1, -1, 0, 0/) ,(/3,3/) )
68 0 : sym(:,:,8) = RESHAPE( (/0, 1, 0, 0, 0, -1, -1, 0, 0/) ,(/3,3/) )
69 0 : sym(:,:,9) = RESHAPE( (/0, 0, 1, 1, 0, 0, 0, 1, 0/) ,(/3,3/) )
70 0 : sym(:,:,10) = RESHAPE( (/0, 0, -1, -1, 0, 0, 0, 1, 0/) ,(/3,3/) )
71 0 : sym(:,:,11) = RESHAPE( (/0, 0, -1, 1, 0, 0, 0, -1, 0/) ,(/3,3/) )
72 0 : sym(:,:,12) = RESHAPE( (/0, 0, 1, -1, 0, 0, 0, -1, 0/) ,(/3,3/) )
73 0 : sym(:,:,13) = RESHAPE( (/-1, 0, 0, 0, -1, 0, 0, 0, -1/) ,(/3,3/) )
74 0 : sym(:,:,14) = RESHAPE( (/1, 0, 0, 0, 1, 0, 0, 0, -1/) ,(/3,3/) )
75 0 : sym(:,:,15) = RESHAPE( (/1, 0, 0, 0, -1, 0, 0, 0, 1/) ,(/3,3/) )
76 0 : sym(:,:,16) = RESHAPE( (/-1, 0, 0, 0, 1, 0, 0, 0, 1/) ,(/3,3/) )
77 0 : sym(:,:,17) = RESHAPE( (/0, -1, 0, 0, 0, -1, -1, 0, 0/) ,(/3,3/) )
78 0 : sym(:,:,18) = RESHAPE( (/0, 1, 0, 0, 0, 1, -1, 0, 0/) ,(/3,3/) )
79 0 : sym(:,:,19) = RESHAPE( (/0, 1, 0, 0, 0, -1, 1, 0, 0/) ,(/3,3/) )
80 0 : sym(:,:,20) = RESHAPE( (/0, -1, 0, 0, 0, 1, 1, 0, 0/) ,(/3,3/) )
81 0 : sym(:,:,21) = RESHAPE( (/0, 0, -1, -1, 0, 0, 0, -1, 0/) ,(/3,3/) )
82 0 : sym(:,:,22) = RESHAPE( (/0, 0, 1, 1, 0, 0, 0, -1, 0/) ,(/3,3/) )
83 0 : sym(:,:,23) = RESHAPE( (/0, 0, 1, -1, 0, 0, 0, 1, 0/) ,(/3,3/) )
84 0 : sym(:,:,24) = RESHAPE( (/0, 0, -1, 1, 0, 0, 0, 1, 0/) ,(/3,3/) )
85 :
86 : ! Number of classes and corresponding indices
87 0 : nclass = 8
88 0 : ABI_MALLOC(class_ids, (2,nclass))
89 0 : class_ids(1,1) = 1
90 0 : class_ids(2,1) = 1
91 0 : class_ids(1,2) = 2
92 0 : class_ids(2,2) = 4
93 0 : class_ids(1,3) = 5
94 0 : class_ids(2,3) = 8
95 0 : class_ids(1,4) = 9
96 0 : class_ids(2,4) = 12
97 0 : class_ids(1,5) = 13
98 0 : class_ids(2,5) = 13
99 0 : class_ids(1,6) = 14
100 0 : class_ids(2,6) = 16
101 0 : class_ids(1,7) = 17
102 0 : class_ids(2,7) = 20
103 0 : class_ids(1,8) = 21
104 0 : class_ids(2,8) = 24
105 :
106 0 : ABI_MALLOC(class_names,(8))
107 0 : class_names(1) = "1+"
108 0 : class_names(2) = "2+"
109 0 : class_names(3) = "3+"
110 0 : class_names(4) = "3+"
111 0 : class_names(5) = "-2-"
112 0 : class_names(6) = "-2+"
113 0 : class_names(7) = "-6-"
114 0 : class_names(8) = "-6-"
115 :
116 : ! List of irreducible representations.
117 0 : ABI_MALLOC(Irr, (8))
118 0 : Irr(1)%name = "Ag"
119 0 : Irr(1)%dim = 1
120 0 : Irr(1)%nsym = 24
121 0 : ABI_MALLOC(Irr(1)%mat, (1,1,24))
122 0 : Irr(1)%mat(:,:,1) = RESHAPE( (/1.0/), (/1, 1/) )
123 0 : Irr(1)%mat(:,:,2) = RESHAPE( (/1.0/), (/1, 1/) )
124 0 : Irr(1)%mat(:,:,3) = RESHAPE( (/1.0/), (/1, 1/) )
125 0 : Irr(1)%mat(:,:,4) = RESHAPE( (/1.0/), (/1, 1/) )
126 0 : Irr(1)%mat(:,:,5) = RESHAPE( (/1.0/), (/1, 1/) )
127 0 : Irr(1)%mat(:,:,6) = RESHAPE( (/1.0/), (/1, 1/) )
128 0 : Irr(1)%mat(:,:,7) = RESHAPE( (/1.0/), (/1, 1/) )
129 0 : Irr(1)%mat(:,:,8) = RESHAPE( (/1.0/), (/1, 1/) )
130 0 : Irr(1)%mat(:,:,9) = RESHAPE( (/1.0/), (/1, 1/) )
131 0 : Irr(1)%mat(:,:,10) = RESHAPE( (/1.0/), (/1, 1/) )
132 0 : Irr(1)%mat(:,:,11) = RESHAPE( (/1.0/), (/1, 1/) )
133 0 : Irr(1)%mat(:,:,12) = RESHAPE( (/1.0/), (/1, 1/) )
134 0 : Irr(1)%mat(:,:,13) = RESHAPE( (/1.0/), (/1, 1/) )
135 0 : Irr(1)%mat(:,:,14) = RESHAPE( (/1.0/), (/1, 1/) )
136 0 : Irr(1)%mat(:,:,15) = RESHAPE( (/1.0/), (/1, 1/) )
137 0 : Irr(1)%mat(:,:,16) = RESHAPE( (/1.0/), (/1, 1/) )
138 0 : Irr(1)%mat(:,:,17) = RESHAPE( (/1.0/), (/1, 1/) )
139 0 : Irr(1)%mat(:,:,18) = RESHAPE( (/1.0/), (/1, 1/) )
140 0 : Irr(1)%mat(:,:,19) = RESHAPE( (/1.0/), (/1, 1/) )
141 0 : Irr(1)%mat(:,:,20) = RESHAPE( (/1.0/), (/1, 1/) )
142 0 : Irr(1)%mat(:,:,21) = RESHAPE( (/1.0/), (/1, 1/) )
143 0 : Irr(1)%mat(:,:,22) = RESHAPE( (/1.0/), (/1, 1/) )
144 0 : Irr(1)%mat(:,:,23) = RESHAPE( (/1.0/), (/1, 1/) )
145 0 : Irr(1)%mat(:,:,24) = RESHAPE( (/1.0/), (/1, 1/) )
146 :
147 0 : Irr(2)%name = "Au"
148 0 : Irr(2)%dim = 1
149 0 : Irr(2)%nsym = 24
150 0 : ABI_MALLOC(Irr(2)%mat, (1,1,24))
151 0 : Irr(2)%mat(:,:,1) = RESHAPE( (/1.0/), (/1, 1/) )
152 0 : Irr(2)%mat(:,:,2) = RESHAPE( (/1.0/), (/1, 1/) )
153 0 : Irr(2)%mat(:,:,3) = RESHAPE( (/1.0/), (/1, 1/) )
154 0 : Irr(2)%mat(:,:,4) = RESHAPE( (/1.0/), (/1, 1/) )
155 0 : Irr(2)%mat(:,:,5) = RESHAPE( (/1.0/), (/1, 1/) )
156 0 : Irr(2)%mat(:,:,6) = RESHAPE( (/1.0/), (/1, 1/) )
157 0 : Irr(2)%mat(:,:,7) = RESHAPE( (/1.0/), (/1, 1/) )
158 0 : Irr(2)%mat(:,:,8) = RESHAPE( (/1.0/), (/1, 1/) )
159 0 : Irr(2)%mat(:,:,9) = RESHAPE( (/1.0/), (/1, 1/) )
160 0 : Irr(2)%mat(:,:,10) = RESHAPE( (/1.0/), (/1, 1/) )
161 0 : Irr(2)%mat(:,:,11) = RESHAPE( (/1.0/), (/1, 1/) )
162 0 : Irr(2)%mat(:,:,12) = RESHAPE( (/1.0/), (/1, 1/) )
163 0 : Irr(2)%mat(:,:,13) = RESHAPE( (/-1.0/), (/1, 1/) )
164 0 : Irr(2)%mat(:,:,14) = RESHAPE( (/-1.0/), (/1, 1/) )
165 0 : Irr(2)%mat(:,:,15) = RESHAPE( (/-1.0/), (/1, 1/) )
166 0 : Irr(2)%mat(:,:,16) = RESHAPE( (/-1.0/), (/1, 1/) )
167 0 : Irr(2)%mat(:,:,17) = RESHAPE( (/-1.0/), (/1, 1/) )
168 0 : Irr(2)%mat(:,:,18) = RESHAPE( (/-1.0/), (/1, 1/) )
169 0 : Irr(2)%mat(:,:,19) = RESHAPE( (/-1.0/), (/1, 1/) )
170 0 : Irr(2)%mat(:,:,20) = RESHAPE( (/-1.0/), (/1, 1/) )
171 0 : Irr(2)%mat(:,:,21) = RESHAPE( (/-1.0/), (/1, 1/) )
172 0 : Irr(2)%mat(:,:,22) = RESHAPE( (/-1.0/), (/1, 1/) )
173 0 : Irr(2)%mat(:,:,23) = RESHAPE( (/-1.0/), (/1, 1/) )
174 0 : Irr(2)%mat(:,:,24) = RESHAPE( (/-1.0/), (/1, 1/) )
175 :
176 0 : Irr(3)%name = "Eg1"
177 0 : Irr(3)%dim = 1
178 0 : Irr(3)%nsym = 24
179 0 : ABI_MALLOC(Irr(3)%mat, (1,1,24))
180 0 : Irr(3)%mat(:,:,1) = RESHAPE( (/1.0/), (/1, 1/) )
181 0 : Irr(3)%mat(:,:,2) = RESHAPE( (/1.0/), (/1, 1/) )
182 0 : Irr(3)%mat(:,:,3) = RESHAPE( (/1.0/), (/1, 1/) )
183 0 : Irr(3)%mat(:,:,4) = RESHAPE( (/1.0/), (/1, 1/) )
184 0 : Irr(3)%mat(:,:,5) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) )
185 0 : Irr(3)%mat(:,:,6) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) )
186 0 : Irr(3)%mat(:,:,7) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) )
187 0 : Irr(3)%mat(:,:,8) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) )
188 0 : Irr(3)%mat(:,:,9) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) )
189 0 : Irr(3)%mat(:,:,10) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) )
190 0 : Irr(3)%mat(:,:,11) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) )
191 0 : Irr(3)%mat(:,:,12) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) )
192 0 : Irr(3)%mat(:,:,13) = RESHAPE( (/1.0/), (/1, 1/) )
193 0 : Irr(3)%mat(:,:,14) = RESHAPE( (/1.0/), (/1, 1/) )
194 0 : Irr(3)%mat(:,:,15) = RESHAPE( (/1.0/), (/1, 1/) )
195 0 : Irr(3)%mat(:,:,16) = RESHAPE( (/1.0/), (/1, 1/) )
196 0 : Irr(3)%mat(:,:,17) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) )
197 0 : Irr(3)%mat(:,:,18) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) )
198 0 : Irr(3)%mat(:,:,19) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) )
199 0 : Irr(3)%mat(:,:,20) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) )
200 0 : Irr(3)%mat(:,:,21) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) )
201 0 : Irr(3)%mat(:,:,22) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) )
202 0 : Irr(3)%mat(:,:,23) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) )
203 0 : Irr(3)%mat(:,:,24) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) )
204 :
205 0 : Irr(4)%name = "Eu1"
206 0 : Irr(4)%dim = 1
207 0 : Irr(4)%nsym = 24
208 0 : ABI_MALLOC(Irr(4)%mat, (1,1,24))
209 0 : Irr(4)%mat(:,:,1) = RESHAPE( (/1.0/), (/1, 1/) )
210 0 : Irr(4)%mat(:,:,2) = RESHAPE( (/1.0/), (/1, 1/) )
211 0 : Irr(4)%mat(:,:,3) = RESHAPE( (/1.0/), (/1, 1/) )
212 0 : Irr(4)%mat(:,:,4) = RESHAPE( (/1.0/), (/1, 1/) )
213 0 : Irr(4)%mat(:,:,5) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) )
214 0 : Irr(4)%mat(:,:,6) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) )
215 0 : Irr(4)%mat(:,:,7) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) )
216 0 : Irr(4)%mat(:,:,8) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) )
217 0 : Irr(4)%mat(:,:,9) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) )
218 0 : Irr(4)%mat(:,:,10) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) )
219 0 : Irr(4)%mat(:,:,11) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) )
220 0 : Irr(4)%mat(:,:,12) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) )
221 0 : Irr(4)%mat(:,:,13) = RESHAPE( (/-1.0/), (/1, 1/) )
222 0 : Irr(4)%mat(:,:,14) = RESHAPE( (/-1.0/), (/1, 1/) )
223 0 : Irr(4)%mat(:,:,15) = RESHAPE( (/-1.0/), (/1, 1/) )
224 0 : Irr(4)%mat(:,:,16) = RESHAPE( (/-1.0/), (/1, 1/) )
225 0 : Irr(4)%mat(:,:,17) = RESHAPE( (/0.5-0.86603*j/), (/1, 1/) )
226 0 : Irr(4)%mat(:,:,18) = RESHAPE( (/0.5-0.86603*j/), (/1, 1/) )
227 0 : Irr(4)%mat(:,:,19) = RESHAPE( (/0.5-0.86603*j/), (/1, 1/) )
228 0 : Irr(4)%mat(:,:,20) = RESHAPE( (/0.5-0.86603*j/), (/1, 1/) )
229 0 : Irr(4)%mat(:,:,21) = RESHAPE( (/0.5+0.86603*j/), (/1, 1/) )
230 0 : Irr(4)%mat(:,:,22) = RESHAPE( (/0.5+0.86603*j/), (/1, 1/) )
231 0 : Irr(4)%mat(:,:,23) = RESHAPE( (/0.5+0.86603*j/), (/1, 1/) )
232 0 : Irr(4)%mat(:,:,24) = RESHAPE( (/0.5+0.86603*j/), (/1, 1/) )
233 :
234 0 : Irr(5)%name = "Eg2"
235 0 : Irr(5)%dim = 1
236 0 : Irr(5)%nsym = 24
237 0 : ABI_MALLOC(Irr(5)%mat, (1,1,24))
238 0 : Irr(5)%mat(:,:,1) = RESHAPE( (/1.0/), (/1, 1/) )
239 0 : Irr(5)%mat(:,:,2) = RESHAPE( (/1.0/), (/1, 1/) )
240 0 : Irr(5)%mat(:,:,3) = RESHAPE( (/1.0/), (/1, 1/) )
241 0 : Irr(5)%mat(:,:,4) = RESHAPE( (/1.0/), (/1, 1/) )
242 0 : Irr(5)%mat(:,:,5) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) )
243 0 : Irr(5)%mat(:,:,6) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) )
244 0 : Irr(5)%mat(:,:,7) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) )
245 0 : Irr(5)%mat(:,:,8) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) )
246 0 : Irr(5)%mat(:,:,9) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) )
247 0 : Irr(5)%mat(:,:,10) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) )
248 0 : Irr(5)%mat(:,:,11) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) )
249 0 : Irr(5)%mat(:,:,12) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) )
250 0 : Irr(5)%mat(:,:,13) = RESHAPE( (/1.0/), (/1, 1/) )
251 0 : Irr(5)%mat(:,:,14) = RESHAPE( (/1.0/), (/1, 1/) )
252 0 : Irr(5)%mat(:,:,15) = RESHAPE( (/1.0/), (/1, 1/) )
253 0 : Irr(5)%mat(:,:,16) = RESHAPE( (/1.0/), (/1, 1/) )
254 0 : Irr(5)%mat(:,:,17) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) )
255 0 : Irr(5)%mat(:,:,18) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) )
256 0 : Irr(5)%mat(:,:,19) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) )
257 0 : Irr(5)%mat(:,:,20) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) )
258 0 : Irr(5)%mat(:,:,21) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) )
259 0 : Irr(5)%mat(:,:,22) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) )
260 0 : Irr(5)%mat(:,:,23) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) )
261 0 : Irr(5)%mat(:,:,24) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) )
262 :
263 0 : Irr(6)%name = "Eu2"
264 0 : Irr(6)%dim = 1
265 0 : Irr(6)%nsym = 24
266 0 : ABI_MALLOC(Irr(6)%mat, (1,1,24))
267 0 : Irr(6)%mat(:,:,1) = RESHAPE( (/1.0/), (/1, 1/) )
268 0 : Irr(6)%mat(:,:,2) = RESHAPE( (/1.0/), (/1, 1/) )
269 0 : Irr(6)%mat(:,:,3) = RESHAPE( (/1.0/), (/1, 1/) )
270 0 : Irr(6)%mat(:,:,4) = RESHAPE( (/1.0/), (/1, 1/) )
271 0 : Irr(6)%mat(:,:,5) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) )
272 0 : Irr(6)%mat(:,:,6) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) )
273 0 : Irr(6)%mat(:,:,7) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) )
274 0 : Irr(6)%mat(:,:,8) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) )
275 0 : Irr(6)%mat(:,:,9) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) )
276 0 : Irr(6)%mat(:,:,10) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) )
277 0 : Irr(6)%mat(:,:,11) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) )
278 0 : Irr(6)%mat(:,:,12) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) )
279 0 : Irr(6)%mat(:,:,13) = RESHAPE( (/-1.0/), (/1, 1/) )
280 0 : Irr(6)%mat(:,:,14) = RESHAPE( (/-1.0/), (/1, 1/) )
281 0 : Irr(6)%mat(:,:,15) = RESHAPE( (/-1.0/), (/1, 1/) )
282 0 : Irr(6)%mat(:,:,16) = RESHAPE( (/-1.0/), (/1, 1/) )
283 0 : Irr(6)%mat(:,:,17) = RESHAPE( (/0.5+0.86603*j/), (/1, 1/) )
284 0 : Irr(6)%mat(:,:,18) = RESHAPE( (/0.5+0.86603*j/), (/1, 1/) )
285 0 : Irr(6)%mat(:,:,19) = RESHAPE( (/0.5+0.86603*j/), (/1, 1/) )
286 0 : Irr(6)%mat(:,:,20) = RESHAPE( (/0.5+0.86603*j/), (/1, 1/) )
287 0 : Irr(6)%mat(:,:,21) = RESHAPE( (/0.5-0.86603*j/), (/1, 1/) )
288 0 : Irr(6)%mat(:,:,22) = RESHAPE( (/0.5-0.86603*j/), (/1, 1/) )
289 0 : Irr(6)%mat(:,:,23) = RESHAPE( (/0.5-0.86603*j/), (/1, 1/) )
290 0 : Irr(6)%mat(:,:,24) = RESHAPE( (/0.5-0.86603*j/), (/1, 1/) )
291 :
292 0 : Irr(7)%name = "Tu"
293 0 : Irr(7)%dim = 3
294 0 : Irr(7)%nsym = 24
295 0 : ABI_MALLOC(Irr(7)%mat, (3,3,24))
296 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/) )
297 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/) )
298 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/) )
299 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/) )
300 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/) )
301 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/) )
302 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/) )
303 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/) )
304 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/) )
305 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/) )
306 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/) )
307 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/) )
308 0 : Irr(7)%mat(:,:,13) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, -1.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) )
309 0 : Irr(7)%mat(:,:,14) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) )
310 0 : Irr(7)%mat(:,:,15) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) )
311 0 : Irr(7)%mat(:,:,16) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, -1.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) )
312 0 : Irr(7)%mat(:,:,17) = RESHAPE( (/0.0, -1.0, 0.0, 0.0, 0.0, -1.0, -1.0, 0.0, 0.0/), (/3, 3/) )
313 0 : Irr(7)%mat(:,:,18) = RESHAPE( (/0.0, -1.0, 0.0, 0.0, 0.0, 1.0, 1.0, 0.0, 0.0/), (/3, 3/) )
314 0 : Irr(7)%mat(:,:,19) = RESHAPE( (/0.0, 1.0, 0.0, 0.0, 0.0, 1.0, -1.0, 0.0, 0.0/), (/3, 3/) )
315 0 : Irr(7)%mat(:,:,20) = RESHAPE( (/0.0, 1.0, 0.0, 0.0, 0.0, -1.0, 1.0, 0.0, 0.0/), (/3, 3/) )
316 0 : Irr(7)%mat(:,:,21) = RESHAPE( (/0.0, 0.0, -1.0, -1.0, 0.0, 0.0, 0.0, -1.0, 0.0/), (/3, 3/) )
317 0 : Irr(7)%mat(:,:,22) = RESHAPE( (/0.0, 0.0, -1.0, 1.0, 0.0, 0.0, 0.0, 1.0, 0.0/), (/3, 3/) )
318 0 : Irr(7)%mat(:,:,23) = RESHAPE( (/0.0, 0.0, 1.0, 1.0, 0.0, 0.0, 0.0, -1.0, 0.0/), (/3, 3/) )
319 0 : Irr(7)%mat(:,:,24) = RESHAPE( (/0.0, 0.0, 1.0, -1.0, 0.0, 0.0, 0.0, 1.0, 0.0/), (/3, 3/) )
320 :
321 0 : Irr(8)%name = "Tg"
322 0 : Irr(8)%dim = 3
323 0 : Irr(8)%nsym = 24
324 0 : ABI_MALLOC(Irr(8)%mat, (3,3,24))
325 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/) )
326 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/) )
327 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/) )
328 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/) )
329 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/) )
330 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/) )
331 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/) )
332 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/) )
333 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/) )
334 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/) )
335 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/) )
336 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/) )
337 0 : Irr(8)%mat(:,:,13) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) )
338 0 : Irr(8)%mat(:,:,14) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, -1.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) )
339 0 : Irr(8)%mat(:,:,15) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, -1.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) )
340 0 : Irr(8)%mat(:,:,16) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) )
341 0 : Irr(8)%mat(:,:,17) = RESHAPE( (/0.0, 1.0, 0.0, 0.0, 0.0, 1.0, 1.0, 0.0, 0.0/), (/3, 3/) )
342 0 : Irr(8)%mat(:,:,18) = RESHAPE( (/0.0, 1.0, 0.0, 0.0, 0.0, -1.0, -1.0, 0.0, 0.0/), (/3, 3/) )
343 0 : Irr(8)%mat(:,:,19) = RESHAPE( (/0.0, -1.0, 0.0, 0.0, 0.0, -1.0, 1.0, 0.0, 0.0/), (/3, 3/) )
344 0 : Irr(8)%mat(:,:,20) = RESHAPE( (/0.0, -1.0, 0.0, 0.0, 0.0, 1.0, -1.0, 0.0, 0.0/), (/3, 3/) )
345 0 : Irr(8)%mat(:,:,21) = RESHAPE( (/0.0, 0.0, 1.0, 1.0, 0.0, 0.0, 0.0, 1.0, 0.0/), (/3, 3/) )
346 0 : Irr(8)%mat(:,:,22) = RESHAPE( (/0.0, 0.0, 1.0, -1.0, 0.0, 0.0, 0.0, -1.0, 0.0/), (/3, 3/) )
347 0 : Irr(8)%mat(:,:,23) = RESHAPE( (/0.0, 0.0, -1.0, -1.0, 0.0, 0.0, 0.0, 1.0, 0.0/), (/3, 3/) )
348 0 : Irr(8)%mat(:,:,24) = RESHAPE( (/0.0, 0.0, -1.0, 1.0, 0.0, 0.0, 0.0, -1.0, 0.0/), (/3, 3/) )
349 :
350 0 : RETURN
351 : if (.FALSE.) write(std_out,*) j
352 : end subroutine ptg_Th
353 : !!***
354 :
355 : end module m_ptg_Th
356 : !!***
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