Branch data Line data Source code
1 : : !!****f* ABINIT/ptg_C6h
2 : : !!
3 : : !! NAME
4 : : !! ptg_C6h
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 C6h (6/m)
27 : :
28 : : #if defined HAVE_CONFIG_H
29 : : #include "config.h"
30 : : #endif
31 : :
32 : : #include "abi_common.h"
33 : :
34 : :
35 : : module m_ptg_C6h
36 : : contains
37 : : !!**
38 : :
39 : :
40 : :
41 : 0 : subroutine ptg_C6h (nsym,nclass,sym,class_ids,class_names,Irr)
42 : : use defs_basis
43 : : use m_abicore
44 : : use m_defs_ptgroups, only : irrep_t
45 : : implicit none
46 : : !Arguments ------------------------------------
47 : : integer,intent(out) :: nclass,nsym
48 : : !arrays
49 : : integer,allocatable,intent(out) :: sym(:,:,:), class_ids(:,:)
50 : : character(len=5),allocatable,intent(out) :: class_names(:)
51 : : type(irrep_t),allocatable,intent(out) :: Irr(:)
52 : : !Local variables-------------------------------
53 : : complex(dp) :: j=(0.0_dp,1.0_dp)
54 : : ! ********************************************************************************
55 : : ! List of symmetries packed in classes
56 : 0 : nsym = 12
57 [ # # # # : 0 : ABI_MALLOC(sym, (3,3,nsym))
# # # # #
# # # #
# ]
58 [ # # # # ]: 0 : sym(:,:,1) = RESHAPE( (/1, 0, 0, 0, 1, 0, 0, 0, 1/) ,(/3,3/) )
59 [ # # # # ]: 0 : sym(:,:,2) = RESHAPE( (/0, 1, 0, -1, -1, 0, 0, 0, 1/) ,(/3,3/) )
60 [ # # # # ]: 0 : sym(:,:,3) = RESHAPE( (/-1, -1, 0, 1, 0, 0, 0, 0, 1/) ,(/3,3/) )
61 [ # # # # ]: 0 : sym(:,:,4) = RESHAPE( (/-1, 0, 0, 0, -1, 0, 0, 0, 1/) ,(/3,3/) )
62 [ # # # # ]: 0 : sym(:,:,5) = RESHAPE( (/0, -1, 0, 1, 1, 0, 0, 0, 1/) ,(/3,3/) )
63 [ # # # # ]: 0 : sym(:,:,6) = RESHAPE( (/1, 1, 0, -1, 0, 0, 0, 0, 1/) ,(/3,3/) )
64 [ # # # # ]: 0 : sym(:,:,7) = RESHAPE( (/-1, 0, 0, 0, -1, 0, 0, 0, -1/) ,(/3,3/) )
65 [ # # # # ]: 0 : sym(:,:,8) = RESHAPE( (/0, -1, 0, 1, 1, 0, 0, 0, -1/) ,(/3,3/) )
66 [ # # # # ]: 0 : sym(:,:,9) = RESHAPE( (/1, 1, 0, -1, 0, 0, 0, 0, -1/) ,(/3,3/) )
67 [ # # # # ]: 0 : sym(:,:,10) = RESHAPE( (/1, 0, 0, 0, 1, 0, 0, 0, -1/) ,(/3,3/) )
68 [ # # # # ]: 0 : sym(:,:,11) = RESHAPE( (/0, 1, 0, -1, -1, 0, 0, 0, -1/) ,(/3,3/) )
69 [ # # # # ]: 0 : sym(:,:,12) = RESHAPE( (/-1, -1, 0, 1, 0, 0, 0, 0, -1/) ,(/3,3/) )
70 : :
71 : : ! Number of classes and corresponding indices
72 : 0 : nclass = 12
73 [ # # # # : 0 : ABI_MALLOC(class_ids, (2,nclass))
# # # # #
# # # #
# ]
74 : 0 : class_ids(1,1) = 1
75 : 0 : class_ids(2,1) = 1
76 : 0 : class_ids(1,2) = 2
77 : 0 : class_ids(2,2) = 2
78 : 0 : class_ids(1,3) = 3
79 : 0 : class_ids(2,3) = 3
80 : 0 : class_ids(1,4) = 4
81 : 0 : class_ids(2,4) = 4
82 : 0 : class_ids(1,5) = 5
83 : 0 : class_ids(2,5) = 5
84 : 0 : class_ids(1,6) = 6
85 : 0 : class_ids(2,6) = 6
86 : 0 : class_ids(1,7) = 7
87 : 0 : class_ids(2,7) = 7
88 : 0 : class_ids(1,8) = 8
89 : 0 : class_ids(2,8) = 8
90 : 0 : class_ids(1,9) = 9
91 : 0 : class_ids(2,9) = 9
92 : 0 : class_ids(1,10) = 10
93 : 0 : class_ids(2,10) = 10
94 : 0 : class_ids(1,11) = 11
95 : 0 : class_ids(2,11) = 11
96 : 0 : class_ids(1,12) = 12
97 : 0 : class_ids(2,12) = 12
98 : :
99 [ # # # # : 0 : ABI_MALLOC(class_names,(12))
# # ]
100 : 0 : class_names(1) = "1+"
101 : 0 : class_names(2) = "3+"
102 : 0 : class_names(3) = "3+"
103 : 0 : class_names(4) = "2+"
104 : 0 : class_names(5) = "6+"
105 : 0 : class_names(6) = "6+"
106 : 0 : class_names(7) = "-2-"
107 : 0 : class_names(8) = "-6-"
108 : 0 : class_names(9) = "-6-"
109 : 0 : class_names(10) = "-2+"
110 : 0 : class_names(11) = "-6+"
111 : 0 : class_names(12) = "-6+"
112 : :
113 : : ! List of irreducible representations.
114 [ # # # # : 0 : ABI_MALLOC(Irr, (12))
# # # # #
# # # #
# ]
115 : 0 : Irr(1)%name = "Ag"
116 : 0 : Irr(1)%dim = 1
117 : 0 : Irr(1)%nsym = 12
118 [ # # # # : 0 : ABI_MALLOC(Irr(1)%mat, (1,1,12))
# # ]
119 [ # # # # ]: 0 : Irr(1)%mat(:,:,1) = RESHAPE( (/1.0/), (/1, 1/) )
120 [ # # # # ]: 0 : Irr(1)%mat(:,:,2) = RESHAPE( (/1.0/), (/1, 1/) )
121 [ # # # # ]: 0 : Irr(1)%mat(:,:,3) = RESHAPE( (/1.0/), (/1, 1/) )
122 [ # # # # ]: 0 : Irr(1)%mat(:,:,4) = RESHAPE( (/1.0/), (/1, 1/) )
123 [ # # # # ]: 0 : Irr(1)%mat(:,:,5) = RESHAPE( (/1.0/), (/1, 1/) )
124 [ # # # # ]: 0 : Irr(1)%mat(:,:,6) = RESHAPE( (/1.0/), (/1, 1/) )
125 [ # # # # ]: 0 : Irr(1)%mat(:,:,7) = RESHAPE( (/1.0/), (/1, 1/) )
126 [ # # # # ]: 0 : Irr(1)%mat(:,:,8) = RESHAPE( (/1.0/), (/1, 1/) )
127 [ # # # # ]: 0 : Irr(1)%mat(:,:,9) = RESHAPE( (/1.0/), (/1, 1/) )
128 [ # # # # ]: 0 : Irr(1)%mat(:,:,10) = RESHAPE( (/1.0/), (/1, 1/) )
129 [ # # # # ]: 0 : Irr(1)%mat(:,:,11) = RESHAPE( (/1.0/), (/1, 1/) )
130 [ # # # # ]: 0 : Irr(1)%mat(:,:,12) = RESHAPE( (/1.0/), (/1, 1/) )
131 : :
132 : 0 : Irr(2)%name = "Au"
133 : 0 : Irr(2)%dim = 1
134 : 0 : Irr(2)%nsym = 12
135 [ # # # # : 0 : ABI_MALLOC(Irr(2)%mat, (1,1,12))
# # ]
136 [ # # # # ]: 0 : Irr(2)%mat(:,:,1) = RESHAPE( (/1.0/), (/1, 1/) )
137 [ # # # # ]: 0 : Irr(2)%mat(:,:,2) = RESHAPE( (/1.0/), (/1, 1/) )
138 [ # # # # ]: 0 : Irr(2)%mat(:,:,3) = RESHAPE( (/1.0/), (/1, 1/) )
139 [ # # # # ]: 0 : Irr(2)%mat(:,:,4) = RESHAPE( (/1.0/), (/1, 1/) )
140 [ # # # # ]: 0 : Irr(2)%mat(:,:,5) = RESHAPE( (/1.0/), (/1, 1/) )
141 [ # # # # ]: 0 : Irr(2)%mat(:,:,6) = RESHAPE( (/1.0/), (/1, 1/) )
142 [ # # # # ]: 0 : Irr(2)%mat(:,:,7) = RESHAPE( (/-1.0/), (/1, 1/) )
143 [ # # # # ]: 0 : Irr(2)%mat(:,:,8) = RESHAPE( (/-1.0/), (/1, 1/) )
144 [ # # # # ]: 0 : Irr(2)%mat(:,:,9) = RESHAPE( (/-1.0/), (/1, 1/) )
145 [ # # # # ]: 0 : Irr(2)%mat(:,:,10) = RESHAPE( (/-1.0/), (/1, 1/) )
146 [ # # # # ]: 0 : Irr(2)%mat(:,:,11) = RESHAPE( (/-1.0/), (/1, 1/) )
147 [ # # # # ]: 0 : Irr(2)%mat(:,:,12) = RESHAPE( (/-1.0/), (/1, 1/) )
148 : :
149 : 0 : Irr(3)%name = "Bg"
150 : 0 : Irr(3)%dim = 1
151 : 0 : Irr(3)%nsym = 12
152 [ # # # # : 0 : ABI_MALLOC(Irr(3)%mat, (1,1,12))
# # ]
153 [ # # # # ]: 0 : Irr(3)%mat(:,:,1) = RESHAPE( (/1.0/), (/1, 1/) )
154 [ # # # # ]: 0 : Irr(3)%mat(:,:,2) = RESHAPE( (/1.0/), (/1, 1/) )
155 [ # # # # ]: 0 : Irr(3)%mat(:,:,3) = RESHAPE( (/1.0/), (/1, 1/) )
156 [ # # # # ]: 0 : Irr(3)%mat(:,:,4) = RESHAPE( (/-1.0/), (/1, 1/) )
157 [ # # # # ]: 0 : Irr(3)%mat(:,:,5) = RESHAPE( (/-1.0/), (/1, 1/) )
158 [ # # # # ]: 0 : Irr(3)%mat(:,:,6) = RESHAPE( (/-1.0/), (/1, 1/) )
159 [ # # # # ]: 0 : Irr(3)%mat(:,:,7) = RESHAPE( (/1.0/), (/1, 1/) )
160 [ # # # # ]: 0 : Irr(3)%mat(:,:,8) = RESHAPE( (/1.0/), (/1, 1/) )
161 [ # # # # ]: 0 : Irr(3)%mat(:,:,9) = RESHAPE( (/1.0/), (/1, 1/) )
162 [ # # # # ]: 0 : Irr(3)%mat(:,:,10) = RESHAPE( (/-1.0/), (/1, 1/) )
163 [ # # # # ]: 0 : Irr(3)%mat(:,:,11) = RESHAPE( (/-1.0/), (/1, 1/) )
164 [ # # # # ]: 0 : Irr(3)%mat(:,:,12) = RESHAPE( (/-1.0/), (/1, 1/) )
165 : :
166 : 0 : Irr(4)%name = "Bu"
167 : 0 : Irr(4)%dim = 1
168 : 0 : Irr(4)%nsym = 12
169 [ # # # # : 0 : ABI_MALLOC(Irr(4)%mat, (1,1,12))
# # ]
170 [ # # # # ]: 0 : Irr(4)%mat(:,:,1) = RESHAPE( (/1.0/), (/1, 1/) )
171 [ # # # # ]: 0 : Irr(4)%mat(:,:,2) = RESHAPE( (/1.0/), (/1, 1/) )
172 [ # # # # ]: 0 : Irr(4)%mat(:,:,3) = RESHAPE( (/1.0/), (/1, 1/) )
173 [ # # # # ]: 0 : Irr(4)%mat(:,:,4) = RESHAPE( (/-1.0/), (/1, 1/) )
174 [ # # # # ]: 0 : Irr(4)%mat(:,:,5) = RESHAPE( (/-1.0/), (/1, 1/) )
175 [ # # # # ]: 0 : Irr(4)%mat(:,:,6) = RESHAPE( (/-1.0/), (/1, 1/) )
176 [ # # # # ]: 0 : Irr(4)%mat(:,:,7) = RESHAPE( (/-1.0/), (/1, 1/) )
177 [ # # # # ]: 0 : Irr(4)%mat(:,:,8) = RESHAPE( (/-1.0/), (/1, 1/) )
178 [ # # # # ]: 0 : Irr(4)%mat(:,:,9) = RESHAPE( (/-1.0/), (/1, 1/) )
179 [ # # # # ]: 0 : Irr(4)%mat(:,:,10) = RESHAPE( (/1.0/), (/1, 1/) )
180 [ # # # # ]: 0 : Irr(4)%mat(:,:,11) = RESHAPE( (/1.0/), (/1, 1/) )
181 [ # # # # ]: 0 : Irr(4)%mat(:,:,12) = RESHAPE( (/1.0/), (/1, 1/) )
182 : :
183 : 0 : Irr(5)%name = "E2g2"
184 : 0 : Irr(5)%dim = 1
185 : 0 : Irr(5)%nsym = 12
186 [ # # # # : 0 : ABI_MALLOC(Irr(5)%mat, (1,1,12))
# # ]
187 [ # # # # ]: 0 : Irr(5)%mat(:,:,1) = RESHAPE( (/1.0/), (/1, 1/) )
188 [ # # # # : 0 : Irr(5)%mat(:,:,2) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) )
# # ]
189 [ # # # # : 0 : Irr(5)%mat(:,:,3) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) )
# # ]
190 [ # # # # ]: 0 : Irr(5)%mat(:,:,4) = RESHAPE( (/1.0/), (/1, 1/) )
191 [ # # # # : 0 : Irr(5)%mat(:,:,5) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) )
# # ]
192 [ # # # # : 0 : Irr(5)%mat(:,:,6) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) )
# # ]
193 [ # # # # ]: 0 : Irr(5)%mat(:,:,7) = RESHAPE( (/1.0/), (/1, 1/) )
194 [ # # # # : 0 : Irr(5)%mat(:,:,8) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) )
# # ]
195 [ # # # # : 0 : Irr(5)%mat(:,:,9) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) )
# # ]
196 [ # # # # ]: 0 : Irr(5)%mat(:,:,10) = RESHAPE( (/1.0/), (/1, 1/) )
197 [ # # # # : 0 : Irr(5)%mat(:,:,11) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) )
# # ]
198 [ # # # # : 0 : Irr(5)%mat(:,:,12) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) )
# # ]
199 : :
200 : 0 : Irr(6)%name = "E2u2"
201 : 0 : Irr(6)%dim = 1
202 : 0 : Irr(6)%nsym = 12
203 [ # # # # : 0 : ABI_MALLOC(Irr(6)%mat, (1,1,12))
# # ]
204 [ # # # # ]: 0 : Irr(6)%mat(:,:,1) = RESHAPE( (/1.0/), (/1, 1/) )
205 [ # # # # : 0 : Irr(6)%mat(:,:,2) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) )
# # ]
206 [ # # # # : 0 : Irr(6)%mat(:,:,3) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) )
# # ]
207 [ # # # # ]: 0 : Irr(6)%mat(:,:,4) = RESHAPE( (/1.0/), (/1, 1/) )
208 [ # # # # : 0 : Irr(6)%mat(:,:,5) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) )
# # ]
209 [ # # # # : 0 : Irr(6)%mat(:,:,6) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) )
# # ]
210 [ # # # # ]: 0 : Irr(6)%mat(:,:,7) = RESHAPE( (/-1.0/), (/1, 1/) )
211 [ # # # # : 0 : Irr(6)%mat(:,:,8) = RESHAPE( (/0.5-0.86603*j/), (/1, 1/) )
# # ]
212 [ # # # # : 0 : Irr(6)%mat(:,:,9) = RESHAPE( (/0.5+0.86603*j/), (/1, 1/) )
# # ]
213 [ # # # # ]: 0 : Irr(6)%mat(:,:,10) = RESHAPE( (/-1.0/), (/1, 1/) )
214 [ # # # # : 0 : Irr(6)%mat(:,:,11) = RESHAPE( (/0.5-0.86603*j/), (/1, 1/) )
# # ]
215 [ # # # # : 0 : Irr(6)%mat(:,:,12) = RESHAPE( (/0.5+0.86603*j/), (/1, 1/) )
# # ]
216 : :
217 : 0 : Irr(7)%name = "E1g1"
218 : 0 : Irr(7)%dim = 1
219 : 0 : Irr(7)%nsym = 12
220 [ # # # # : 0 : ABI_MALLOC(Irr(7)%mat, (1,1,12))
# # ]
221 [ # # # # ]: 0 : Irr(7)%mat(:,:,1) = RESHAPE( (/1.0/), (/1, 1/) )
222 [ # # # # : 0 : Irr(7)%mat(:,:,2) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) )
# # ]
223 [ # # # # : 0 : Irr(7)%mat(:,:,3) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) )
# # ]
224 [ # # # # ]: 0 : Irr(7)%mat(:,:,4) = RESHAPE( (/-1.0/), (/1, 1/) )
225 [ # # # # : 0 : Irr(7)%mat(:,:,5) = RESHAPE( (/0.5-0.86603*j/), (/1, 1/) )
# # ]
226 [ # # # # : 0 : Irr(7)%mat(:,:,6) = RESHAPE( (/0.5+0.86603*j/), (/1, 1/) )
# # ]
227 [ # # # # ]: 0 : Irr(7)%mat(:,:,7) = RESHAPE( (/1.0/), (/1, 1/) )
228 [ # # # # : 0 : Irr(7)%mat(:,:,8) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) )
# # ]
229 [ # # # # : 0 : Irr(7)%mat(:,:,9) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) )
# # ]
230 [ # # # # ]: 0 : Irr(7)%mat(:,:,10) = RESHAPE( (/-1.0/), (/1, 1/) )
231 [ # # # # : 0 : Irr(7)%mat(:,:,11) = RESHAPE( (/0.5-0.86603*j/), (/1, 1/) )
# # ]
232 [ # # # # : 0 : Irr(7)%mat(:,:,12) = RESHAPE( (/0.5+0.86603*j/), (/1, 1/) )
# # ]
233 : :
234 : 0 : Irr(8)%name = "E1u1"
235 : 0 : Irr(8)%dim = 1
236 : 0 : Irr(8)%nsym = 12
237 [ # # # # : 0 : ABI_MALLOC(Irr(8)%mat, (1,1,12))
# # ]
238 [ # # # # ]: 0 : Irr(8)%mat(:,:,1) = RESHAPE( (/1.0/), (/1, 1/) )
239 [ # # # # : 0 : Irr(8)%mat(:,:,2) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) )
# # ]
240 [ # # # # : 0 : Irr(8)%mat(:,:,3) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) )
# # ]
241 [ # # # # ]: 0 : Irr(8)%mat(:,:,4) = RESHAPE( (/-1.0/), (/1, 1/) )
242 [ # # # # : 0 : Irr(8)%mat(:,:,5) = RESHAPE( (/0.5-0.86603*j/), (/1, 1/) )
# # ]
243 [ # # # # : 0 : Irr(8)%mat(:,:,6) = RESHAPE( (/0.5+0.86603*j/), (/1, 1/) )
# # ]
244 [ # # # # ]: 0 : Irr(8)%mat(:,:,7) = RESHAPE( (/-1.0/), (/1, 1/) )
245 [ # # # # : 0 : Irr(8)%mat(:,:,8) = RESHAPE( (/0.5-0.86603*j/), (/1, 1/) )
# # ]
246 [ # # # # : 0 : Irr(8)%mat(:,:,9) = RESHAPE( (/0.5+0.86603*j/), (/1, 1/) )
# # ]
247 [ # # # # ]: 0 : Irr(8)%mat(:,:,10) = RESHAPE( (/1.0/), (/1, 1/) )
248 [ # # # # : 0 : Irr(8)%mat(:,:,11) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) )
# # ]
249 [ # # # # : 0 : Irr(8)%mat(:,:,12) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) )
# # ]
250 : :
251 : 0 : Irr(9)%name = "E2g1"
252 : 0 : Irr(9)%dim = 1
253 : 0 : Irr(9)%nsym = 12
254 [ # # # # : 0 : ABI_MALLOC(Irr(9)%mat, (1,1,12))
# # ]
255 [ # # # # ]: 0 : Irr(9)%mat(:,:,1) = RESHAPE( (/1.0/), (/1, 1/) )
256 [ # # # # : 0 : Irr(9)%mat(:,:,2) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) )
# # ]
257 [ # # # # : 0 : Irr(9)%mat(:,:,3) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) )
# # ]
258 [ # # # # ]: 0 : Irr(9)%mat(:,:,4) = RESHAPE( (/1.0/), (/1, 1/) )
259 [ # # # # : 0 : Irr(9)%mat(:,:,5) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) )
# # ]
260 [ # # # # : 0 : Irr(9)%mat(:,:,6) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) )
# # ]
261 [ # # # # ]: 0 : Irr(9)%mat(:,:,7) = RESHAPE( (/1.0/), (/1, 1/) )
262 [ # # # # : 0 : Irr(9)%mat(:,:,8) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) )
# # ]
263 [ # # # # : 0 : Irr(9)%mat(:,:,9) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) )
# # ]
264 [ # # # # ]: 0 : Irr(9)%mat(:,:,10) = RESHAPE( (/1.0/), (/1, 1/) )
265 [ # # # # : 0 : Irr(9)%mat(:,:,11) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) )
# # ]
266 [ # # # # : 0 : Irr(9)%mat(:,:,12) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) )
# # ]
267 : :
268 : 0 : Irr(10)%name = "E2u1"
269 : 0 : Irr(10)%dim = 1
270 : 0 : Irr(10)%nsym = 12
271 [ # # # # : 0 : ABI_MALLOC(Irr(10)%mat, (1,1,12))
# # ]
272 [ # # # # ]: 0 : Irr(10)%mat(:,:,1) = RESHAPE( (/1.0/), (/1, 1/) )
273 [ # # # # : 0 : Irr(10)%mat(:,:,2) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) )
# # ]
274 [ # # # # : 0 : Irr(10)%mat(:,:,3) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) )
# # ]
275 [ # # # # ]: 0 : Irr(10)%mat(:,:,4) = RESHAPE( (/1.0/), (/1, 1/) )
276 [ # # # # : 0 : Irr(10)%mat(:,:,5) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) )
# # ]
277 [ # # # # : 0 : Irr(10)%mat(:,:,6) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) )
# # ]
278 [ # # # # ]: 0 : Irr(10)%mat(:,:,7) = RESHAPE( (/-1.0/), (/1, 1/) )
279 [ # # # # : 0 : Irr(10)%mat(:,:,8) = RESHAPE( (/0.5+0.86603*j/), (/1, 1/) )
# # ]
280 [ # # # # : 0 : Irr(10)%mat(:,:,9) = RESHAPE( (/0.5-0.86603*j/), (/1, 1/) )
# # ]
281 [ # # # # ]: 0 : Irr(10)%mat(:,:,10) = RESHAPE( (/-1.0/), (/1, 1/) )
282 [ # # # # : 0 : Irr(10)%mat(:,:,11) = RESHAPE( (/0.5+0.86603*j/), (/1, 1/) )
# # ]
283 [ # # # # : 0 : Irr(10)%mat(:,:,12) = RESHAPE( (/0.5-0.86603*j/), (/1, 1/) )
# # ]
284 : :
285 : 0 : Irr(11)%name = "E1g2"
286 : 0 : Irr(11)%dim = 1
287 : 0 : Irr(11)%nsym = 12
288 [ # # # # : 0 : ABI_MALLOC(Irr(11)%mat, (1,1,12))
# # ]
289 [ # # # # ]: 0 : Irr(11)%mat(:,:,1) = RESHAPE( (/1.0/), (/1, 1/) )
290 [ # # # # : 0 : Irr(11)%mat(:,:,2) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) )
# # ]
291 [ # # # # : 0 : Irr(11)%mat(:,:,3) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) )
# # ]
292 [ # # # # ]: 0 : Irr(11)%mat(:,:,4) = RESHAPE( (/-1.0/), (/1, 1/) )
293 [ # # # # : 0 : Irr(11)%mat(:,:,5) = RESHAPE( (/0.5+0.86603*j/), (/1, 1/) )
# # ]
294 [ # # # # : 0 : Irr(11)%mat(:,:,6) = RESHAPE( (/0.5-0.86603*j/), (/1, 1/) )
# # ]
295 [ # # # # ]: 0 : Irr(11)%mat(:,:,7) = RESHAPE( (/1.0/), (/1, 1/) )
296 [ # # # # : 0 : Irr(11)%mat(:,:,8) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) )
# # ]
297 [ # # # # : 0 : Irr(11)%mat(:,:,9) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) )
# # ]
298 [ # # # # ]: 0 : Irr(11)%mat(:,:,10) = RESHAPE( (/-1.0/), (/1, 1/) )
299 [ # # # # : 0 : Irr(11)%mat(:,:,11) = RESHAPE( (/0.5+0.86603*j/), (/1, 1/) )
# # ]
300 [ # # # # : 0 : Irr(11)%mat(:,:,12) = RESHAPE( (/0.5-0.86603*j/), (/1, 1/) )
# # ]
301 : :
302 : 0 : Irr(12)%name = "E1u2"
303 : 0 : Irr(12)%dim = 1
304 : 0 : Irr(12)%nsym = 12
305 [ # # # # : 0 : ABI_MALLOC(Irr(12)%mat, (1,1,12))
# # ]
306 [ # # # # ]: 0 : Irr(12)%mat(:,:,1) = RESHAPE( (/1.0/), (/1, 1/) )
307 [ # # # # : 0 : Irr(12)%mat(:,:,2) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) )
# # ]
308 [ # # # # : 0 : Irr(12)%mat(:,:,3) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) )
# # ]
309 [ # # # # ]: 0 : Irr(12)%mat(:,:,4) = RESHAPE( (/-1.0/), (/1, 1/) )
310 [ # # # # : 0 : Irr(12)%mat(:,:,5) = RESHAPE( (/0.5+0.86603*j/), (/1, 1/) )
# # ]
311 [ # # # # : 0 : Irr(12)%mat(:,:,6) = RESHAPE( (/0.5-0.86603*j/), (/1, 1/) )
# # ]
312 [ # # # # ]: 0 : Irr(12)%mat(:,:,7) = RESHAPE( (/-1.0/), (/1, 1/) )
313 [ # # # # : 0 : Irr(12)%mat(:,:,8) = RESHAPE( (/0.5+0.86603*j/), (/1, 1/) )
# # ]
314 [ # # # # : 0 : Irr(12)%mat(:,:,9) = RESHAPE( (/0.5-0.86603*j/), (/1, 1/) )
# # ]
315 [ # # # # ]: 0 : Irr(12)%mat(:,:,10) = RESHAPE( (/1.0/), (/1, 1/) )
316 [ # # # # : 0 : Irr(12)%mat(:,:,11) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) )
# # ]
317 [ # # # # : 0 : Irr(12)%mat(:,:,12) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) )
# # ]
318 : :
319 : 0 : RETURN
320 : : if (.FALSE.) write(std_out,*) j
321 : : end subroutine ptg_C6h
322 : : !!***
323 : :
324 : : end module m_ptg_C6h
325 : : !!***
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