TABLE OF CONTENTS
ABINIT/ptg_Th [ Functions ]
NAME
ptg_Th
FUNCTION
COPYRIGHT
Copyright (C) 2010-2022 ABINIT group (MG) This file is distributed under the terms of the GNU General Public License, see ~abinit/COPYING or http://www.gnu.org/copyleft/gpl.txt . For the initials of contributors, see ~abinit/doc/developers/contributors.txt .
INPUTS
OUTPUT
SOURCE
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 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(dpc) :: j=(0.0_dp,1.0_dp) 57 ! ******************************************************************************** 58 ! List of symmetries packed in classes 59 nsym = 24 60 ABI_MALLOC(sym, (3,3,nsym)) 61 sym(:,:,1) = RESHAPE( (/1, 0, 0, 0, 1, 0, 0, 0, 1/) ,(/3,3/) ) 62 sym(:,:,2) = RESHAPE( (/-1, 0, 0, 0, -1, 0, 0, 0, 1/) ,(/3,3/) ) 63 sym(:,:,3) = RESHAPE( (/-1, 0, 0, 0, 1, 0, 0, 0, -1/) ,(/3,3/) ) 64 sym(:,:,4) = RESHAPE( (/1, 0, 0, 0, -1, 0, 0, 0, -1/) ,(/3,3/) ) 65 sym(:,:,5) = RESHAPE( (/0, 1, 0, 0, 0, 1, 1, 0, 0/) ,(/3,3/) ) 66 sym(:,:,6) = RESHAPE( (/0, -1, 0, 0, 0, -1, 1, 0, 0/) ,(/3,3/) ) 67 sym(:,:,7) = RESHAPE( (/0, -1, 0, 0, 0, 1, -1, 0, 0/) ,(/3,3/) ) 68 sym(:,:,8) = RESHAPE( (/0, 1, 0, 0, 0, -1, -1, 0, 0/) ,(/3,3/) ) 69 sym(:,:,9) = RESHAPE( (/0, 0, 1, 1, 0, 0, 0, 1, 0/) ,(/3,3/) ) 70 sym(:,:,10) = RESHAPE( (/0, 0, -1, -1, 0, 0, 0, 1, 0/) ,(/3,3/) ) 71 sym(:,:,11) = RESHAPE( (/0, 0, -1, 1, 0, 0, 0, -1, 0/) ,(/3,3/) ) 72 sym(:,:,12) = RESHAPE( (/0, 0, 1, -1, 0, 0, 0, -1, 0/) ,(/3,3/) ) 73 sym(:,:,13) = RESHAPE( (/-1, 0, 0, 0, -1, 0, 0, 0, -1/) ,(/3,3/) ) 74 sym(:,:,14) = RESHAPE( (/1, 0, 0, 0, 1, 0, 0, 0, -1/) ,(/3,3/) ) 75 sym(:,:,15) = RESHAPE( (/1, 0, 0, 0, -1, 0, 0, 0, 1/) ,(/3,3/) ) 76 sym(:,:,16) = RESHAPE( (/-1, 0, 0, 0, 1, 0, 0, 0, 1/) ,(/3,3/) ) 77 sym(:,:,17) = RESHAPE( (/0, -1, 0, 0, 0, -1, -1, 0, 0/) ,(/3,3/) ) 78 sym(:,:,18) = RESHAPE( (/0, 1, 0, 0, 0, 1, -1, 0, 0/) ,(/3,3/) ) 79 sym(:,:,19) = RESHAPE( (/0, 1, 0, 0, 0, -1, 1, 0, 0/) ,(/3,3/) ) 80 sym(:,:,20) = RESHAPE( (/0, -1, 0, 0, 0, 1, 1, 0, 0/) ,(/3,3/) ) 81 sym(:,:,21) = RESHAPE( (/0, 0, -1, -1, 0, 0, 0, -1, 0/) ,(/3,3/) ) 82 sym(:,:,22) = RESHAPE( (/0, 0, 1, 1, 0, 0, 0, -1, 0/) ,(/3,3/) ) 83 sym(:,:,23) = RESHAPE( (/0, 0, 1, -1, 0, 0, 0, 1, 0/) ,(/3,3/) ) 84 sym(:,:,24) = RESHAPE( (/0, 0, -1, 1, 0, 0, 0, 1, 0/) ,(/3,3/) ) 85 86 ! Number of classes and corresponding indeces 87 nclass = 8 88 ABI_MALLOC(class_ids, (2,nclass)) 89 class_ids(1,1) = 1 90 class_ids(2,1) = 1 91 class_ids(1,2) = 2 92 class_ids(2,2) = 4 93 class_ids(1,3) = 5 94 class_ids(2,3) = 8 95 class_ids(1,4) = 9 96 class_ids(2,4) = 12 97 class_ids(1,5) = 13 98 class_ids(2,5) = 13 99 class_ids(1,6) = 14 100 class_ids(2,6) = 16 101 class_ids(1,7) = 17 102 class_ids(2,7) = 20 103 class_ids(1,8) = 21 104 class_ids(2,8) = 24 105 106 ABI_MALLOC(class_names,(8)) 107 class_names(1) = "1+" 108 class_names(2) = "2+" 109 class_names(3) = "3+" 110 class_names(4) = "3+" 111 class_names(5) = "-2-" 112 class_names(6) = "-2+" 113 class_names(7) = "-6-" 114 class_names(8) = "-6-" 115 116 ! List of irreducible representations. 117 ABI_MALLOC(Irr, (8)) 118 Irr(1)%name = "Ag" 119 Irr(1)%dim = 1 120 Irr(1)%nsym = 24 121 ABI_MALLOC(Irr(1)%mat, (1,1,24)) 122 Irr(1)%mat(:,:,1) = RESHAPE( (/1.0/), (/1, 1/) ) 123 Irr(1)%mat(:,:,2) = RESHAPE( (/1.0/), (/1, 1/) ) 124 Irr(1)%mat(:,:,3) = RESHAPE( (/1.0/), (/1, 1/) ) 125 Irr(1)%mat(:,:,4) = RESHAPE( (/1.0/), (/1, 1/) ) 126 Irr(1)%mat(:,:,5) = RESHAPE( (/1.0/), (/1, 1/) ) 127 Irr(1)%mat(:,:,6) = RESHAPE( (/1.0/), (/1, 1/) ) 128 Irr(1)%mat(:,:,7) = RESHAPE( (/1.0/), (/1, 1/) ) 129 Irr(1)%mat(:,:,8) = RESHAPE( (/1.0/), (/1, 1/) ) 130 Irr(1)%mat(:,:,9) = RESHAPE( (/1.0/), (/1, 1/) ) 131 Irr(1)%mat(:,:,10) = RESHAPE( (/1.0/), (/1, 1/) ) 132 Irr(1)%mat(:,:,11) = RESHAPE( (/1.0/), (/1, 1/) ) 133 Irr(1)%mat(:,:,12) = RESHAPE( (/1.0/), (/1, 1/) ) 134 Irr(1)%mat(:,:,13) = RESHAPE( (/1.0/), (/1, 1/) ) 135 Irr(1)%mat(:,:,14) = RESHAPE( (/1.0/), (/1, 1/) ) 136 Irr(1)%mat(:,:,15) = RESHAPE( (/1.0/), (/1, 1/) ) 137 Irr(1)%mat(:,:,16) = RESHAPE( (/1.0/), (/1, 1/) ) 138 Irr(1)%mat(:,:,17) = RESHAPE( (/1.0/), (/1, 1/) ) 139 Irr(1)%mat(:,:,18) = RESHAPE( (/1.0/), (/1, 1/) ) 140 Irr(1)%mat(:,:,19) = RESHAPE( (/1.0/), (/1, 1/) ) 141 Irr(1)%mat(:,:,20) = RESHAPE( (/1.0/), (/1, 1/) ) 142 Irr(1)%mat(:,:,21) = RESHAPE( (/1.0/), (/1, 1/) ) 143 Irr(1)%mat(:,:,22) = RESHAPE( (/1.0/), (/1, 1/) ) 144 Irr(1)%mat(:,:,23) = RESHAPE( (/1.0/), (/1, 1/) ) 145 Irr(1)%mat(:,:,24) = RESHAPE( (/1.0/), (/1, 1/) ) 146 147 Irr(2)%name = "Au" 148 Irr(2)%dim = 1 149 Irr(2)%nsym = 24 150 ABI_MALLOC(Irr(2)%mat, (1,1,24)) 151 Irr(2)%mat(:,:,1) = RESHAPE( (/1.0/), (/1, 1/) ) 152 Irr(2)%mat(:,:,2) = RESHAPE( (/1.0/), (/1, 1/) ) 153 Irr(2)%mat(:,:,3) = RESHAPE( (/1.0/), (/1, 1/) ) 154 Irr(2)%mat(:,:,4) = RESHAPE( (/1.0/), (/1, 1/) ) 155 Irr(2)%mat(:,:,5) = RESHAPE( (/1.0/), (/1, 1/) ) 156 Irr(2)%mat(:,:,6) = RESHAPE( (/1.0/), (/1, 1/) ) 157 Irr(2)%mat(:,:,7) = RESHAPE( (/1.0/), (/1, 1/) ) 158 Irr(2)%mat(:,:,8) = RESHAPE( (/1.0/), (/1, 1/) ) 159 Irr(2)%mat(:,:,9) = RESHAPE( (/1.0/), (/1, 1/) ) 160 Irr(2)%mat(:,:,10) = RESHAPE( (/1.0/), (/1, 1/) ) 161 Irr(2)%mat(:,:,11) = RESHAPE( (/1.0/), (/1, 1/) ) 162 Irr(2)%mat(:,:,12) = RESHAPE( (/1.0/), (/1, 1/) ) 163 Irr(2)%mat(:,:,13) = RESHAPE( (/-1.0/), (/1, 1/) ) 164 Irr(2)%mat(:,:,14) = RESHAPE( (/-1.0/), (/1, 1/) ) 165 Irr(2)%mat(:,:,15) = RESHAPE( (/-1.0/), (/1, 1/) ) 166 Irr(2)%mat(:,:,16) = RESHAPE( (/-1.0/), (/1, 1/) ) 167 Irr(2)%mat(:,:,17) = RESHAPE( (/-1.0/), (/1, 1/) ) 168 Irr(2)%mat(:,:,18) = RESHAPE( (/-1.0/), (/1, 1/) ) 169 Irr(2)%mat(:,:,19) = RESHAPE( (/-1.0/), (/1, 1/) ) 170 Irr(2)%mat(:,:,20) = RESHAPE( (/-1.0/), (/1, 1/) ) 171 Irr(2)%mat(:,:,21) = RESHAPE( (/-1.0/), (/1, 1/) ) 172 Irr(2)%mat(:,:,22) = RESHAPE( (/-1.0/), (/1, 1/) ) 173 Irr(2)%mat(:,:,23) = RESHAPE( (/-1.0/), (/1, 1/) ) 174 Irr(2)%mat(:,:,24) = RESHAPE( (/-1.0/), (/1, 1/) ) 175 176 Irr(3)%name = "Eg1" 177 Irr(3)%dim = 1 178 Irr(3)%nsym = 24 179 ABI_MALLOC(Irr(3)%mat, (1,1,24)) 180 Irr(3)%mat(:,:,1) = RESHAPE( (/1.0/), (/1, 1/) ) 181 Irr(3)%mat(:,:,2) = RESHAPE( (/1.0/), (/1, 1/) ) 182 Irr(3)%mat(:,:,3) = RESHAPE( (/1.0/), (/1, 1/) ) 183 Irr(3)%mat(:,:,4) = RESHAPE( (/1.0/), (/1, 1/) ) 184 Irr(3)%mat(:,:,5) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) ) 185 Irr(3)%mat(:,:,6) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) ) 186 Irr(3)%mat(:,:,7) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) ) 187 Irr(3)%mat(:,:,8) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) ) 188 Irr(3)%mat(:,:,9) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) ) 189 Irr(3)%mat(:,:,10) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) ) 190 Irr(3)%mat(:,:,11) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) ) 191 Irr(3)%mat(:,:,12) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) ) 192 Irr(3)%mat(:,:,13) = RESHAPE( (/1.0/), (/1, 1/) ) 193 Irr(3)%mat(:,:,14) = RESHAPE( (/1.0/), (/1, 1/) ) 194 Irr(3)%mat(:,:,15) = RESHAPE( (/1.0/), (/1, 1/) ) 195 Irr(3)%mat(:,:,16) = RESHAPE( (/1.0/), (/1, 1/) ) 196 Irr(3)%mat(:,:,17) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) ) 197 Irr(3)%mat(:,:,18) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) ) 198 Irr(3)%mat(:,:,19) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) ) 199 Irr(3)%mat(:,:,20) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) ) 200 Irr(3)%mat(:,:,21) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) ) 201 Irr(3)%mat(:,:,22) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) ) 202 Irr(3)%mat(:,:,23) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) ) 203 Irr(3)%mat(:,:,24) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) ) 204 205 Irr(4)%name = "Eu1" 206 Irr(4)%dim = 1 207 Irr(4)%nsym = 24 208 ABI_MALLOC(Irr(4)%mat, (1,1,24)) 209 Irr(4)%mat(:,:,1) = RESHAPE( (/1.0/), (/1, 1/) ) 210 Irr(4)%mat(:,:,2) = RESHAPE( (/1.0/), (/1, 1/) ) 211 Irr(4)%mat(:,:,3) = RESHAPE( (/1.0/), (/1, 1/) ) 212 Irr(4)%mat(:,:,4) = RESHAPE( (/1.0/), (/1, 1/) ) 213 Irr(4)%mat(:,:,5) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) ) 214 Irr(4)%mat(:,:,6) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) ) 215 Irr(4)%mat(:,:,7) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) ) 216 Irr(4)%mat(:,:,8) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) ) 217 Irr(4)%mat(:,:,9) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) ) 218 Irr(4)%mat(:,:,10) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) ) 219 Irr(4)%mat(:,:,11) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) ) 220 Irr(4)%mat(:,:,12) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) ) 221 Irr(4)%mat(:,:,13) = RESHAPE( (/-1.0/), (/1, 1/) ) 222 Irr(4)%mat(:,:,14) = RESHAPE( (/-1.0/), (/1, 1/) ) 223 Irr(4)%mat(:,:,15) = RESHAPE( (/-1.0/), (/1, 1/) ) 224 Irr(4)%mat(:,:,16) = RESHAPE( (/-1.0/), (/1, 1/) ) 225 Irr(4)%mat(:,:,17) = RESHAPE( (/0.5-0.86603*j/), (/1, 1/) ) 226 Irr(4)%mat(:,:,18) = RESHAPE( (/0.5-0.86603*j/), (/1, 1/) ) 227 Irr(4)%mat(:,:,19) = RESHAPE( (/0.5-0.86603*j/), (/1, 1/) ) 228 Irr(4)%mat(:,:,20) = RESHAPE( (/0.5-0.86603*j/), (/1, 1/) ) 229 Irr(4)%mat(:,:,21) = RESHAPE( (/0.5+0.86603*j/), (/1, 1/) ) 230 Irr(4)%mat(:,:,22) = RESHAPE( (/0.5+0.86603*j/), (/1, 1/) ) 231 Irr(4)%mat(:,:,23) = RESHAPE( (/0.5+0.86603*j/), (/1, 1/) ) 232 Irr(4)%mat(:,:,24) = RESHAPE( (/0.5+0.86603*j/), (/1, 1/) ) 233 234 Irr(5)%name = "Eg2" 235 Irr(5)%dim = 1 236 Irr(5)%nsym = 24 237 ABI_MALLOC(Irr(5)%mat, (1,1,24)) 238 Irr(5)%mat(:,:,1) = RESHAPE( (/1.0/), (/1, 1/) ) 239 Irr(5)%mat(:,:,2) = RESHAPE( (/1.0/), (/1, 1/) ) 240 Irr(5)%mat(:,:,3) = RESHAPE( (/1.0/), (/1, 1/) ) 241 Irr(5)%mat(:,:,4) = RESHAPE( (/1.0/), (/1, 1/) ) 242 Irr(5)%mat(:,:,5) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) ) 243 Irr(5)%mat(:,:,6) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) ) 244 Irr(5)%mat(:,:,7) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) ) 245 Irr(5)%mat(:,:,8) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) ) 246 Irr(5)%mat(:,:,9) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) ) 247 Irr(5)%mat(:,:,10) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) ) 248 Irr(5)%mat(:,:,11) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) ) 249 Irr(5)%mat(:,:,12) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) ) 250 Irr(5)%mat(:,:,13) = RESHAPE( (/1.0/), (/1, 1/) ) 251 Irr(5)%mat(:,:,14) = RESHAPE( (/1.0/), (/1, 1/) ) 252 Irr(5)%mat(:,:,15) = RESHAPE( (/1.0/), (/1, 1/) ) 253 Irr(5)%mat(:,:,16) = RESHAPE( (/1.0/), (/1, 1/) ) 254 Irr(5)%mat(:,:,17) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) ) 255 Irr(5)%mat(:,:,18) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) ) 256 Irr(5)%mat(:,:,19) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) ) 257 Irr(5)%mat(:,:,20) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) ) 258 Irr(5)%mat(:,:,21) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) ) 259 Irr(5)%mat(:,:,22) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) ) 260 Irr(5)%mat(:,:,23) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) ) 261 Irr(5)%mat(:,:,24) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) ) 262 263 Irr(6)%name = "Eu2" 264 Irr(6)%dim = 1 265 Irr(6)%nsym = 24 266 ABI_MALLOC(Irr(6)%mat, (1,1,24)) 267 Irr(6)%mat(:,:,1) = RESHAPE( (/1.0/), (/1, 1/) ) 268 Irr(6)%mat(:,:,2) = RESHAPE( (/1.0/), (/1, 1/) ) 269 Irr(6)%mat(:,:,3) = RESHAPE( (/1.0/), (/1, 1/) ) 270 Irr(6)%mat(:,:,4) = RESHAPE( (/1.0/), (/1, 1/) ) 271 Irr(6)%mat(:,:,5) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) ) 272 Irr(6)%mat(:,:,6) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) ) 273 Irr(6)%mat(:,:,7) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) ) 274 Irr(6)%mat(:,:,8) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) ) 275 Irr(6)%mat(:,:,9) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) ) 276 Irr(6)%mat(:,:,10) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) ) 277 Irr(6)%mat(:,:,11) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) ) 278 Irr(6)%mat(:,:,12) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) ) 279 Irr(6)%mat(:,:,13) = RESHAPE( (/-1.0/), (/1, 1/) ) 280 Irr(6)%mat(:,:,14) = RESHAPE( (/-1.0/), (/1, 1/) ) 281 Irr(6)%mat(:,:,15) = RESHAPE( (/-1.0/), (/1, 1/) ) 282 Irr(6)%mat(:,:,16) = RESHAPE( (/-1.0/), (/1, 1/) ) 283 Irr(6)%mat(:,:,17) = RESHAPE( (/0.5+0.86603*j/), (/1, 1/) ) 284 Irr(6)%mat(:,:,18) = RESHAPE( (/0.5+0.86603*j/), (/1, 1/) ) 285 Irr(6)%mat(:,:,19) = RESHAPE( (/0.5+0.86603*j/), (/1, 1/) ) 286 Irr(6)%mat(:,:,20) = RESHAPE( (/0.5+0.86603*j/), (/1, 1/) ) 287 Irr(6)%mat(:,:,21) = RESHAPE( (/0.5-0.86603*j/), (/1, 1/) ) 288 Irr(6)%mat(:,:,22) = RESHAPE( (/0.5-0.86603*j/), (/1, 1/) ) 289 Irr(6)%mat(:,:,23) = RESHAPE( (/0.5-0.86603*j/), (/1, 1/) ) 290 Irr(6)%mat(:,:,24) = RESHAPE( (/0.5-0.86603*j/), (/1, 1/) ) 291 292 Irr(7)%name = "Tu" 293 Irr(7)%dim = 3 294 Irr(7)%nsym = 24 295 ABI_MALLOC(Irr(7)%mat, (3,3,24)) 296 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 Irr(8)%name = "Tg" 322 Irr(8)%dim = 3 323 Irr(8)%nsym = 24 324 ABI_MALLOC(Irr(8)%mat, (3,3,24)) 325 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 RETURN 351 if (.FALSE.) write(std_out,*) j 352 end subroutine ptg_Th