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1 : : !!****f* ABINIT/ptg_O
2 : : !!
3 : : !! NAME
4 : : !! ptg_O
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 O (432)
27 : :
28 : : #if defined HAVE_CONFIG_H
29 : : #include "config.h"
30 : : #endif
31 : :
32 : : #include "abi_common.h"
33 : :
34 : : module m_ptg_O
35 : :
36 : : #ifdef FC_INTEL
37 : : !DEC$ NOOPTIMIZE
38 : : #endif
39 : :
40 : : contains
41 : : !!**
42 : :
43 : 0 : subroutine ptg_O (nsym,nclass,sym,class_ids,class_names,Irr)
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 = 24
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 : :
85 : : ! Number of classes and corresponding indices
86 : 0 : nclass = 5
87 [ # # # # : 0 : ABI_MALLOC(class_ids, (2,nclass))
# # # # #
# # # #
# ]
88 : 0 : class_ids(1,1) = 1
89 : 0 : class_ids(2,1) = 1
90 : 0 : class_ids(1,2) = 2
91 : 0 : class_ids(2,2) = 4
92 : 0 : class_ids(1,3) = 5
93 : 0 : class_ids(2,3) = 12
94 : 0 : class_ids(1,4) = 13
95 : 0 : class_ids(2,4) = 18
96 : 0 : class_ids(1,5) = 19
97 : 0 : class_ids(2,5) = 24
98 : :
99 [ # # # # : 0 : ABI_MALLOC(class_names,(5))
# # ]
100 : 0 : class_names(1) = "1+"
101 : 0 : class_names(2) = "2+"
102 : 0 : class_names(3) = "3+"
103 : 0 : class_names(4) = "2+"
104 : 0 : class_names(5) = "4+"
105 : :
106 : : ! List of irreducible representations.
107 [ # # # # : 0 : ABI_MALLOC(Irr, (5))
# # # # #
# # # #
# ]
108 : 0 : Irr(1)%name = "A1"
109 : 0 : Irr(1)%dim = 1
110 : 0 : Irr(1)%nsym = 24
111 [ # # # # : 0 : ABI_MALLOC(Irr(1)%mat, (1,1,24))
# # ]
112 [ # # # # ]: 0 : Irr(1)%mat(:,:,1) = RESHAPE( (/1.0/), (/1, 1/) )
113 [ # # # # ]: 0 : Irr(1)%mat(:,:,2) = RESHAPE( (/1.0/), (/1, 1/) )
114 [ # # # # ]: 0 : Irr(1)%mat(:,:,3) = RESHAPE( (/1.0/), (/1, 1/) )
115 [ # # # # ]: 0 : Irr(1)%mat(:,:,4) = RESHAPE( (/1.0/), (/1, 1/) )
116 [ # # # # ]: 0 : Irr(1)%mat(:,:,5) = RESHAPE( (/1.0/), (/1, 1/) )
117 [ # # # # ]: 0 : Irr(1)%mat(:,:,6) = RESHAPE( (/1.0/), (/1, 1/) )
118 [ # # # # ]: 0 : Irr(1)%mat(:,:,7) = RESHAPE( (/1.0/), (/1, 1/) )
119 [ # # # # ]: 0 : Irr(1)%mat(:,:,8) = RESHAPE( (/1.0/), (/1, 1/) )
120 [ # # # # ]: 0 : Irr(1)%mat(:,:,9) = RESHAPE( (/1.0/), (/1, 1/) )
121 [ # # # # ]: 0 : Irr(1)%mat(:,:,10) = RESHAPE( (/1.0/), (/1, 1/) )
122 [ # # # # ]: 0 : Irr(1)%mat(:,:,11) = RESHAPE( (/1.0/), (/1, 1/) )
123 [ # # # # ]: 0 : Irr(1)%mat(:,:,12) = RESHAPE( (/1.0/), (/1, 1/) )
124 [ # # # # ]: 0 : Irr(1)%mat(:,:,13) = RESHAPE( (/1.0/), (/1, 1/) )
125 [ # # # # ]: 0 : Irr(1)%mat(:,:,14) = RESHAPE( (/1.0/), (/1, 1/) )
126 [ # # # # ]: 0 : Irr(1)%mat(:,:,15) = RESHAPE( (/1.0/), (/1, 1/) )
127 [ # # # # ]: 0 : Irr(1)%mat(:,:,16) = RESHAPE( (/1.0/), (/1, 1/) )
128 [ # # # # ]: 0 : Irr(1)%mat(:,:,17) = RESHAPE( (/1.0/), (/1, 1/) )
129 [ # # # # ]: 0 : Irr(1)%mat(:,:,18) = RESHAPE( (/1.0/), (/1, 1/) )
130 [ # # # # ]: 0 : Irr(1)%mat(:,:,19) = RESHAPE( (/1.0/), (/1, 1/) )
131 [ # # # # ]: 0 : Irr(1)%mat(:,:,20) = RESHAPE( (/1.0/), (/1, 1/) )
132 [ # # # # ]: 0 : Irr(1)%mat(:,:,21) = RESHAPE( (/1.0/), (/1, 1/) )
133 [ # # # # ]: 0 : Irr(1)%mat(:,:,22) = RESHAPE( (/1.0/), (/1, 1/) )
134 [ # # # # ]: 0 : Irr(1)%mat(:,:,23) = RESHAPE( (/1.0/), (/1, 1/) )
135 [ # # # # ]: 0 : Irr(1)%mat(:,:,24) = RESHAPE( (/1.0/), (/1, 1/) )
136 : :
137 : 0 : Irr(2)%name = "A2"
138 : 0 : Irr(2)%dim = 1
139 : 0 : Irr(2)%nsym = 24
140 [ # # # # : 0 : ABI_MALLOC(Irr(2)%mat, (1,1,24))
# # ]
141 [ # # # # ]: 0 : Irr(2)%mat(:,:,1) = RESHAPE( (/1.0/), (/1, 1/) )
142 [ # # # # ]: 0 : Irr(2)%mat(:,:,2) = RESHAPE( (/1.0/), (/1, 1/) )
143 [ # # # # ]: 0 : Irr(2)%mat(:,:,3) = RESHAPE( (/1.0/), (/1, 1/) )
144 [ # # # # ]: 0 : Irr(2)%mat(:,:,4) = RESHAPE( (/1.0/), (/1, 1/) )
145 [ # # # # ]: 0 : Irr(2)%mat(:,:,5) = RESHAPE( (/1.0/), (/1, 1/) )
146 [ # # # # ]: 0 : Irr(2)%mat(:,:,6) = RESHAPE( (/1.0/), (/1, 1/) )
147 [ # # # # ]: 0 : Irr(2)%mat(:,:,7) = RESHAPE( (/1.0/), (/1, 1/) )
148 [ # # # # ]: 0 : Irr(2)%mat(:,:,8) = RESHAPE( (/1.0/), (/1, 1/) )
149 [ # # # # ]: 0 : Irr(2)%mat(:,:,9) = RESHAPE( (/1.0/), (/1, 1/) )
150 [ # # # # ]: 0 : Irr(2)%mat(:,:,10) = RESHAPE( (/1.0/), (/1, 1/) )
151 [ # # # # ]: 0 : Irr(2)%mat(:,:,11) = RESHAPE( (/1.0/), (/1, 1/) )
152 [ # # # # ]: 0 : Irr(2)%mat(:,:,12) = RESHAPE( (/1.0/), (/1, 1/) )
153 [ # # # # ]: 0 : Irr(2)%mat(:,:,13) = RESHAPE( (/-1.0/), (/1, 1/) )
154 [ # # # # ]: 0 : Irr(2)%mat(:,:,14) = RESHAPE( (/-1.0/), (/1, 1/) )
155 [ # # # # ]: 0 : Irr(2)%mat(:,:,15) = RESHAPE( (/-1.0/), (/1, 1/) )
156 [ # # # # ]: 0 : Irr(2)%mat(:,:,16) = RESHAPE( (/-1.0/), (/1, 1/) )
157 [ # # # # ]: 0 : Irr(2)%mat(:,:,17) = RESHAPE( (/-1.0/), (/1, 1/) )
158 [ # # # # ]: 0 : Irr(2)%mat(:,:,18) = RESHAPE( (/-1.0/), (/1, 1/) )
159 [ # # # # ]: 0 : Irr(2)%mat(:,:,19) = RESHAPE( (/-1.0/), (/1, 1/) )
160 [ # # # # ]: 0 : Irr(2)%mat(:,:,20) = RESHAPE( (/-1.0/), (/1, 1/) )
161 [ # # # # ]: 0 : Irr(2)%mat(:,:,21) = RESHAPE( (/-1.0/), (/1, 1/) )
162 [ # # # # ]: 0 : Irr(2)%mat(:,:,22) = RESHAPE( (/-1.0/), (/1, 1/) )
163 [ # # # # ]: 0 : Irr(2)%mat(:,:,23) = RESHAPE( (/-1.0/), (/1, 1/) )
164 [ # # # # ]: 0 : Irr(2)%mat(:,:,24) = RESHAPE( (/-1.0/), (/1, 1/) )
165 : :
166 : 0 : Irr(3)%name = "E"
167 : 0 : Irr(3)%dim = 2
168 : 0 : Irr(3)%nsym = 24
169 [ # # # # : 0 : ABI_MALLOC(Irr(3)%mat, (2,2,24))
# # ]
170 [ # # # # ]: 0 : Irr(3)%mat(:,:,1) = RESHAPE( (/1.0, 0.0, 0.0, 1.0/), (/2, 2/) )
171 [ # # # # ]: 0 : Irr(3)%mat(:,:,2) = RESHAPE( (/1.0, 0.0, 0.0, 1.0/), (/2, 2/) )
172 [ # # # # ]: 0 : Irr(3)%mat(:,:,3) = RESHAPE( (/1.0, 0.0, 0.0, 1.0/), (/2, 2/) )
173 [ # # # # ]: 0 : Irr(3)%mat(:,:,4) = RESHAPE( (/1.0, 0.0, 0.0, 1.0/), (/2, 2/) )
174 [ # # # # : 0 : Irr(3)%mat(:,:,5) = RESHAPE( (/-0.5+0.86603*j, 0*j, 0*j, -0.5-0.86603*j/), (/2, 2/) )
# # ]
175 [ # # # # : 0 : Irr(3)%mat(:,:,6) = RESHAPE( (/-0.5+0.86603*j, 0*j, 0*j, -0.5-0.86603*j/), (/2, 2/) )
# # ]
176 [ # # # # : 0 : Irr(3)%mat(:,:,7) = RESHAPE( (/-0.5+0.86603*j, 0*j, 0*j, -0.5-0.86603*j/), (/2, 2/) )
# # ]
177 [ # # # # : 0 : Irr(3)%mat(:,:,8) = RESHAPE( (/-0.5+0.86603*j, 0*j, 0*j, -0.5-0.86603*j/), (/2, 2/) )
# # ]
178 [ # # # # : 0 : Irr(3)%mat(:,:,9) = RESHAPE( (/-0.5-0.86603*j, 0*j, 0*j, -0.5+0.86603*j/), (/2, 2/) )
# # ]
179 [ # # # # : 0 : Irr(3)%mat(:,:,10) = RESHAPE( (/-0.5-0.86603*j, 0*j, 0*j, -0.5+0.86603*j/), (/2, 2/) )
# # ]
180 [ # # # # : 0 : Irr(3)%mat(:,:,11) = RESHAPE( (/-0.5-0.86603*j, 0*j, 0*j, -0.5+0.86603*j/), (/2, 2/) )
# # ]
181 [ # # # # : 0 : Irr(3)%mat(:,:,12) = RESHAPE( (/-0.5-0.86603*j, 0*j, 0*j, -0.5+0.86603*j/), (/2, 2/) )
# # ]
182 [ # # # # ]: 0 : Irr(3)%mat(:,:,13) = RESHAPE( (/0.0, 1.0, 1.0, 0.0/), (/2, 2/) )
183 [ # # # # ]: 0 : Irr(3)%mat(:,:,14) = RESHAPE( (/0.0, 1.0, 1.0, 0.0/), (/2, 2/) )
184 [ # # # # : 0 : Irr(3)%mat(:,:,15) = RESHAPE( (/0*j, -0.5+0.86603*j, -0.5-0.86603*j, 0*j/), (/2, 2/) )
# # ]
185 [ # # # # : 0 : Irr(3)%mat(:,:,16) = RESHAPE( (/0*j, -0.5+0.86603*j, -0.5-0.86603*j, 0*j/), (/2, 2/) )
# # ]
186 [ # # # # : 0 : Irr(3)%mat(:,:,17) = RESHAPE( (/0*j, -0.5-0.86603*j, -0.5+0.86603*j, 0*j/), (/2, 2/) )
# # ]
187 [ # # # # : 0 : Irr(3)%mat(:,:,18) = RESHAPE( (/0*j, -0.5-0.86603*j, -0.5+0.86603*j, 0*j/), (/2, 2/) )
# # ]
188 [ # # # # ]: 0 : Irr(3)%mat(:,:,19) = RESHAPE( (/0.0, 1.0, 1.0, 0.0/), (/2, 2/) )
189 [ # # # # ]: 0 : Irr(3)%mat(:,:,20) = RESHAPE( (/0.0, 1.0, 1.0, 0.0/), (/2, 2/) )
190 [ # # # # : 0 : Irr(3)%mat(:,:,21) = RESHAPE( (/0*j, -0.5+0.86603*j, -0.5-0.86603*j, 0*j/), (/2, 2/) )
# # ]
191 [ # # # # : 0 : Irr(3)%mat(:,:,22) = RESHAPE( (/0*j, -0.5+0.86603*j, -0.5-0.86603*j, 0*j/), (/2, 2/) )
# # ]
192 [ # # # # : 0 : Irr(3)%mat(:,:,23) = RESHAPE( (/0*j, -0.5-0.86603*j, -0.5+0.86603*j, 0*j/), (/2, 2/) )
# # ]
193 [ # # # # : 0 : Irr(3)%mat(:,:,24) = RESHAPE( (/0*j, -0.5-0.86603*j, -0.5+0.86603*j, 0*j/), (/2, 2/) )
# # ]
194 : :
195 : 0 : Irr(4)%name = "T2"
196 : 0 : Irr(4)%dim = 3
197 : 0 : Irr(4)%nsym = 24
198 [ # # # # : 0 : ABI_MALLOC(Irr(4)%mat, (3,3,24))
# # ]
199 [ # # # # ]: 0 : Irr(4)%mat(:,:,1) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) )
200 [ # # # # ]: 0 : Irr(4)%mat(:,:,2) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, -1.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) )
201 [ # # # # ]: 0 : Irr(4)%mat(:,:,3) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) )
202 [ # # # # ]: 0 : Irr(4)%mat(:,:,4) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, -1.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) )
203 [ # # # # ]: 0 : Irr(4)%mat(:,:,5) = RESHAPE( (/0.0, 1.0, 0.0, 0.0, 0.0, 1.0, 1.0, 0.0, 0.0/), (/3, 3/) )
204 [ # # # # ]: 0 : Irr(4)%mat(:,:,6) = RESHAPE( (/0.0, 1.0, 0.0, 0.0, 0.0, -1.0, -1.0, 0.0, 0.0/), (/3, 3/) )
205 [ # # # # ]: 0 : Irr(4)%mat(:,:,7) = RESHAPE( (/0.0, -1.0, 0.0, 0.0, 0.0, 1.0, -1.0, 0.0, 0.0/), (/3, 3/) )
206 [ # # # # ]: 0 : Irr(4)%mat(:,:,8) = RESHAPE( (/0.0, -1.0, 0.0, 0.0, 0.0, -1.0, 1.0, 0.0, 0.0/), (/3, 3/) )
207 [ # # # # ]: 0 : Irr(4)%mat(:,:,9) = RESHAPE( (/0.0, 0.0, 1.0, 1.0, 0.0, 0.0, 0.0, 1.0, 0.0/), (/3, 3/) )
208 [ # # # # ]: 0 : Irr(4)%mat(:,:,10) = RESHAPE( (/0.0, 0.0, 1.0, -1.0, 0.0, 0.0, 0.0, -1.0, 0.0/), (/3, 3/) )
209 [ # # # # ]: 0 : Irr(4)%mat(:,:,11) = RESHAPE( (/0.0, 0.0, -1.0, 1.0, 0.0, 0.0, 0.0, -1.0, 0.0/), (/3, 3/) )
210 [ # # # # ]: 0 : Irr(4)%mat(:,:,12) = RESHAPE( (/0.0, 0.0, -1.0, -1.0, 0.0, 0.0, 0.0, 1.0, 0.0/), (/3, 3/) )
211 [ # # # # ]: 0 : Irr(4)%mat(:,:,13) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, 0.0, -1.0, 0.0, -1.0, 0.0/), (/3, 3/) )
212 [ # # # # ]: 0 : Irr(4)%mat(:,:,14) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 1.0, 0.0/), (/3, 3/) )
213 [ # # # # ]: 0 : Irr(4)%mat(:,:,15) = RESHAPE( (/0.0, 0.0, -1.0, 0.0, 1.0, 0.0, -1.0, 0.0, 0.0/), (/3, 3/) )
214 [ # # # # ]: 0 : Irr(4)%mat(:,:,16) = RESHAPE( (/0.0, 0.0, 1.0, 0.0, 1.0, 0.0, 1.0, 0.0, 0.0/), (/3, 3/) )
215 [ # # # # ]: 0 : Irr(4)%mat(:,:,17) = RESHAPE( (/0.0, -1.0, 0.0, -1.0, 0.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) )
216 [ # # # # ]: 0 : Irr(4)%mat(:,:,18) = RESHAPE( (/0.0, 1.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) )
217 [ # # # # ]: 0 : Irr(4)%mat(:,:,19) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, 0.0, -1.0, 0.0, 1.0, 0.0/), (/3, 3/) )
218 [ # # # # ]: 0 : Irr(4)%mat(:,:,20) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, -1.0, 0.0/), (/3, 3/) )
219 [ # # # # ]: 0 : Irr(4)%mat(:,:,21) = RESHAPE( (/0.0, 0.0, -1.0, 0.0, -1.0, 0.0, 1.0, 0.0, 0.0/), (/3, 3/) )
220 [ # # # # ]: 0 : Irr(4)%mat(:,:,22) = RESHAPE( (/0.0, 0.0, 1.0, 0.0, -1.0, 0.0, -1.0, 0.0, 0.0/), (/3, 3/) )
221 [ # # # # ]: 0 : Irr(4)%mat(:,:,23) = RESHAPE( (/0.0, -1.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) )
222 [ # # # # ]: 0 : Irr(4)%mat(:,:,24) = RESHAPE( (/0.0, 1.0, 0.0, -1.0, 0.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) )
223 : :
224 : 0 : Irr(5)%name = "T1"
225 : 0 : Irr(5)%dim = 3
226 : 0 : Irr(5)%nsym = 24
227 [ # # # # : 0 : ABI_MALLOC(Irr(5)%mat, (3,3,24))
# # ]
228 [ # # # # ]: 0 : Irr(5)%mat(:,:,1) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) )
229 [ # # # # ]: 0 : Irr(5)%mat(:,:,2) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, -1.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) )
230 [ # # # # ]: 0 : Irr(5)%mat(:,:,3) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) )
231 [ # # # # ]: 0 : Irr(5)%mat(:,:,4) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, -1.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) )
232 [ # # # # ]: 0 : Irr(5)%mat(:,:,5) = RESHAPE( (/0.0, 1.0, 0.0, 0.0, 0.0, 1.0, 1.0, 0.0, 0.0/), (/3, 3/) )
233 [ # # # # ]: 0 : Irr(5)%mat(:,:,6) = RESHAPE( (/0.0, 1.0, 0.0, 0.0, 0.0, -1.0, -1.0, 0.0, 0.0/), (/3, 3/) )
234 [ # # # # ]: 0 : Irr(5)%mat(:,:,7) = RESHAPE( (/0.0, -1.0, 0.0, 0.0, 0.0, 1.0, -1.0, 0.0, 0.0/), (/3, 3/) )
235 [ # # # # ]: 0 : Irr(5)%mat(:,:,8) = RESHAPE( (/0.0, -1.0, 0.0, 0.0, 0.0, -1.0, 1.0, 0.0, 0.0/), (/3, 3/) )
236 [ # # # # ]: 0 : Irr(5)%mat(:,:,9) = RESHAPE( (/0.0, 0.0, 1.0, 1.0, 0.0, 0.0, 0.0, 1.0, 0.0/), (/3, 3/) )
237 [ # # # # ]: 0 : Irr(5)%mat(:,:,10) = RESHAPE( (/0.0, 0.0, 1.0, -1.0, 0.0, 0.0, 0.0, -1.0, 0.0/), (/3, 3/) )
238 [ # # # # ]: 0 : Irr(5)%mat(:,:,11) = RESHAPE( (/0.0, 0.0, -1.0, 1.0, 0.0, 0.0, 0.0, -1.0, 0.0/), (/3, 3/) )
239 [ # # # # ]: 0 : Irr(5)%mat(:,:,12) = RESHAPE( (/0.0, 0.0, -1.0, -1.0, 0.0, 0.0, 0.0, 1.0, 0.0/), (/3, 3/) )
240 [ # # # # ]: 0 : Irr(5)%mat(:,:,13) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 1.0, 0.0/), (/3, 3/) )
241 [ # # # # ]: 0 : Irr(5)%mat(:,:,14) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, 0.0, -1.0, 0.0, -1.0, 0.0/), (/3, 3/) )
242 [ # # # # ]: 0 : Irr(5)%mat(:,:,15) = RESHAPE( (/0.0, 0.0, 1.0, 0.0, -1.0, 0.0, 1.0, 0.0, 0.0/), (/3, 3/) )
243 [ # # # # ]: 0 : Irr(5)%mat(:,:,16) = RESHAPE( (/0.0, 0.0, -1.0, 0.0, -1.0, 0.0, -1.0, 0.0, 0.0/), (/3, 3/) )
244 [ # # # # ]: 0 : Irr(5)%mat(:,:,17) = RESHAPE( (/0.0, 1.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) )
245 [ # # # # ]: 0 : Irr(5)%mat(:,:,18) = RESHAPE( (/0.0, -1.0, 0.0, -1.0, 0.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) )
246 [ # # # # ]: 0 : Irr(5)%mat(:,:,19) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, -1.0, 0.0/), (/3, 3/) )
247 [ # # # # ]: 0 : Irr(5)%mat(:,:,20) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, 0.0, -1.0, 0.0, 1.0, 0.0/), (/3, 3/) )
248 [ # # # # ]: 0 : Irr(5)%mat(:,:,21) = RESHAPE( (/0.0, 0.0, 1.0, 0.0, 1.0, 0.0, -1.0, 0.0, 0.0/), (/3, 3/) )
249 [ # # # # ]: 0 : Irr(5)%mat(:,:,22) = RESHAPE( (/0.0, 0.0, -1.0, 0.0, 1.0, 0.0, 1.0, 0.0, 0.0/), (/3, 3/) )
250 [ # # # # ]: 0 : Irr(5)%mat(:,:,23) = RESHAPE( (/0.0, 1.0, 0.0, -1.0, 0.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) )
251 [ # # # # ]: 0 : Irr(5)%mat(:,:,24) = RESHAPE( (/0.0, -1.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) )
252 : :
253 : 0 : RETURN
254 : : if (.FALSE.) write(std_out,*) j
255 : : end subroutine ptg_O
256 : : !!***
257 : :
258 : : end module m_ptg_O
259 : : !!***
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