TABLE OF CONTENTS
ABINIT/ptg_Th [ Functions ]
NAME
ptg_Th
FUNCTION
COPYRIGHT
Copyright (C) 2010-2018 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
PARENTS
m_ptgroups
CHILDREN
SOURCE
27 !******************************************************************************** 28 ! This include file has been automatically generated by the script ptg.py 29 ! Do not edit! Change the script source instead. 30 !******************************************************************************** 31 32 ! Point group name Th (m-3) 33 34 #if defined HAVE_CONFIG_H 35 #include "config.h" 36 #endif 37 38 #include "abi_common.h" 39 40 subroutine ptg_Th (nsym,nclass,sym,class_ids,class_names,Irr) 41 42 !DEC$ NOOPTIMIZE 43 44 use defs_basis 45 use m_profiling_abi 46 use m_defs_ptgroups, only : irrep_t 47 48 !This section has been created automatically by the script Abilint (TD). 49 !Do not modify the following lines by hand. 50 #undef ABI_FUNC 51 #define ABI_FUNC 'ptg_Th' 52 !End of the abilint section 53 54 implicit none 55 !Arguments ------------------------------------ 56 integer,intent(out) :: nclass,nsym 57 !arrays 58 integer,allocatable,intent(out) :: sym(:,:,:), class_ids(:,:) 59 character(len=5),allocatable,intent(out) :: class_names(:) 60 type(irrep_t),allocatable,intent(out) :: Irr(:) 61 !Local variables------------------------------- 62 complex(dpc) :: j=(0.0_dp,1.0_dp) 63 ! ******************************************************************************** 64 ! List of symmetries packed in classes 65 nsym = 24 66 ABI_MALLOC(sym, (3,3,nsym)) 67 sym(:,:,1) = RESHAPE( (/1, 0, 0, 0, 1, 0, 0, 0, 1/) ,(/3,3/) ) 68 sym(:,:,2) = RESHAPE( (/-1, 0, 0, 0, -1, 0, 0, 0, 1/) ,(/3,3/) ) 69 sym(:,:,3) = RESHAPE( (/-1, 0, 0, 0, 1, 0, 0, 0, -1/) ,(/3,3/) ) 70 sym(:,:,4) = RESHAPE( (/1, 0, 0, 0, -1, 0, 0, 0, -1/) ,(/3,3/) ) 71 sym(:,:,5) = RESHAPE( (/0, 1, 0, 0, 0, 1, 1, 0, 0/) ,(/3,3/) ) 72 sym(:,:,6) = RESHAPE( (/0, -1, 0, 0, 0, -1, 1, 0, 0/) ,(/3,3/) ) 73 sym(:,:,7) = RESHAPE( (/0, -1, 0, 0, 0, 1, -1, 0, 0/) ,(/3,3/) ) 74 sym(:,:,8) = RESHAPE( (/0, 1, 0, 0, 0, -1, -1, 0, 0/) ,(/3,3/) ) 75 sym(:,:,9) = RESHAPE( (/0, 0, 1, 1, 0, 0, 0, 1, 0/) ,(/3,3/) ) 76 sym(:,:,10) = RESHAPE( (/0, 0, -1, -1, 0, 0, 0, 1, 0/) ,(/3,3/) ) 77 sym(:,:,11) = RESHAPE( (/0, 0, -1, 1, 0, 0, 0, -1, 0/) ,(/3,3/) ) 78 sym(:,:,12) = RESHAPE( (/0, 0, 1, -1, 0, 0, 0, -1, 0/) ,(/3,3/) ) 79 sym(:,:,13) = RESHAPE( (/-1, 0, 0, 0, -1, 0, 0, 0, -1/) ,(/3,3/) ) 80 sym(:,:,14) = RESHAPE( (/1, 0, 0, 0, 1, 0, 0, 0, -1/) ,(/3,3/) ) 81 sym(:,:,15) = RESHAPE( (/1, 0, 0, 0, -1, 0, 0, 0, 1/) ,(/3,3/) ) 82 sym(:,:,16) = RESHAPE( (/-1, 0, 0, 0, 1, 0, 0, 0, 1/) ,(/3,3/) ) 83 sym(:,:,17) = RESHAPE( (/0, -1, 0, 0, 0, -1, -1, 0, 0/) ,(/3,3/) ) 84 sym(:,:,18) = RESHAPE( (/0, 1, 0, 0, 0, 1, -1, 0, 0/) ,(/3,3/) ) 85 sym(:,:,19) = RESHAPE( (/0, 1, 0, 0, 0, -1, 1, 0, 0/) ,(/3,3/) ) 86 sym(:,:,20) = RESHAPE( (/0, -1, 0, 0, 0, 1, 1, 0, 0/) ,(/3,3/) ) 87 sym(:,:,21) = RESHAPE( (/0, 0, -1, -1, 0, 0, 0, -1, 0/) ,(/3,3/) ) 88 sym(:,:,22) = RESHAPE( (/0, 0, 1, 1, 0, 0, 0, -1, 0/) ,(/3,3/) ) 89 sym(:,:,23) = RESHAPE( (/0, 0, 1, -1, 0, 0, 0, 1, 0/) ,(/3,3/) ) 90 sym(:,:,24) = RESHAPE( (/0, 0, -1, 1, 0, 0, 0, 1, 0/) ,(/3,3/) ) 91 92 ! Number of classes and corresponding indeces 93 nclass = 8 94 ABI_MALLOC(class_ids, (2,nclass)) 95 class_ids(1,1) = 1 96 class_ids(2,1) = 1 97 class_ids(1,2) = 2 98 class_ids(2,2) = 4 99 class_ids(1,3) = 5 100 class_ids(2,3) = 8 101 class_ids(1,4) = 9 102 class_ids(2,4) = 12 103 class_ids(1,5) = 13 104 class_ids(2,5) = 13 105 class_ids(1,6) = 14 106 class_ids(2,6) = 16 107 class_ids(1,7) = 17 108 class_ids(2,7) = 20 109 class_ids(1,8) = 21 110 class_ids(2,8) = 24 111 112 ABI_MALLOC(class_names,(8)) 113 class_names(1) = "1+" 114 class_names(2) = "2+" 115 class_names(3) = "3+" 116 class_names(4) = "3+" 117 class_names(5) = "-2-" 118 class_names(6) = "-2+" 119 class_names(7) = "-6-" 120 class_names(8) = "-6-" 121 122 ! List of irreducible representations. 123 ABI_DT_MALLOC(Irr, (8)) 124 Irr(1)%name = "Ag" 125 Irr(1)%dim = 1 126 Irr(1)%nsym = 24 127 ABI_MALLOC(Irr(1)%mat, (1,1,24)) 128 Irr(1)%mat(:,:,1) = RESHAPE( (/1.0/), (/1, 1/) ) 129 Irr(1)%mat(:,:,2) = RESHAPE( (/1.0/), (/1, 1/) ) 130 Irr(1)%mat(:,:,3) = RESHAPE( (/1.0/), (/1, 1/) ) 131 Irr(1)%mat(:,:,4) = RESHAPE( (/1.0/), (/1, 1/) ) 132 Irr(1)%mat(:,:,5) = RESHAPE( (/1.0/), (/1, 1/) ) 133 Irr(1)%mat(:,:,6) = RESHAPE( (/1.0/), (/1, 1/) ) 134 Irr(1)%mat(:,:,7) = RESHAPE( (/1.0/), (/1, 1/) ) 135 Irr(1)%mat(:,:,8) = RESHAPE( (/1.0/), (/1, 1/) ) 136 Irr(1)%mat(:,:,9) = RESHAPE( (/1.0/), (/1, 1/) ) 137 Irr(1)%mat(:,:,10) = RESHAPE( (/1.0/), (/1, 1/) ) 138 Irr(1)%mat(:,:,11) = RESHAPE( (/1.0/), (/1, 1/) ) 139 Irr(1)%mat(:,:,12) = RESHAPE( (/1.0/), (/1, 1/) ) 140 Irr(1)%mat(:,:,13) = RESHAPE( (/1.0/), (/1, 1/) ) 141 Irr(1)%mat(:,:,14) = RESHAPE( (/1.0/), (/1, 1/) ) 142 Irr(1)%mat(:,:,15) = RESHAPE( (/1.0/), (/1, 1/) ) 143 Irr(1)%mat(:,:,16) = RESHAPE( (/1.0/), (/1, 1/) ) 144 Irr(1)%mat(:,:,17) = RESHAPE( (/1.0/), (/1, 1/) ) 145 Irr(1)%mat(:,:,18) = RESHAPE( (/1.0/), (/1, 1/) ) 146 Irr(1)%mat(:,:,19) = RESHAPE( (/1.0/), (/1, 1/) ) 147 Irr(1)%mat(:,:,20) = RESHAPE( (/1.0/), (/1, 1/) ) 148 Irr(1)%mat(:,:,21) = RESHAPE( (/1.0/), (/1, 1/) ) 149 Irr(1)%mat(:,:,22) = RESHAPE( (/1.0/), (/1, 1/) ) 150 Irr(1)%mat(:,:,23) = RESHAPE( (/1.0/), (/1, 1/) ) 151 Irr(1)%mat(:,:,24) = RESHAPE( (/1.0/), (/1, 1/) ) 152 153 Irr(2)%name = "Au" 154 Irr(2)%dim = 1 155 Irr(2)%nsym = 24 156 ABI_MALLOC(Irr(2)%mat, (1,1,24)) 157 Irr(2)%mat(:,:,1) = RESHAPE( (/1.0/), (/1, 1/) ) 158 Irr(2)%mat(:,:,2) = RESHAPE( (/1.0/), (/1, 1/) ) 159 Irr(2)%mat(:,:,3) = RESHAPE( (/1.0/), (/1, 1/) ) 160 Irr(2)%mat(:,:,4) = RESHAPE( (/1.0/), (/1, 1/) ) 161 Irr(2)%mat(:,:,5) = RESHAPE( (/1.0/), (/1, 1/) ) 162 Irr(2)%mat(:,:,6) = RESHAPE( (/1.0/), (/1, 1/) ) 163 Irr(2)%mat(:,:,7) = RESHAPE( (/1.0/), (/1, 1/) ) 164 Irr(2)%mat(:,:,8) = RESHAPE( (/1.0/), (/1, 1/) ) 165 Irr(2)%mat(:,:,9) = RESHAPE( (/1.0/), (/1, 1/) ) 166 Irr(2)%mat(:,:,10) = RESHAPE( (/1.0/), (/1, 1/) ) 167 Irr(2)%mat(:,:,11) = RESHAPE( (/1.0/), (/1, 1/) ) 168 Irr(2)%mat(:,:,12) = RESHAPE( (/1.0/), (/1, 1/) ) 169 Irr(2)%mat(:,:,13) = RESHAPE( (/-1.0/), (/1, 1/) ) 170 Irr(2)%mat(:,:,14) = RESHAPE( (/-1.0/), (/1, 1/) ) 171 Irr(2)%mat(:,:,15) = RESHAPE( (/-1.0/), (/1, 1/) ) 172 Irr(2)%mat(:,:,16) = RESHAPE( (/-1.0/), (/1, 1/) ) 173 Irr(2)%mat(:,:,17) = RESHAPE( (/-1.0/), (/1, 1/) ) 174 Irr(2)%mat(:,:,18) = RESHAPE( (/-1.0/), (/1, 1/) ) 175 Irr(2)%mat(:,:,19) = RESHAPE( (/-1.0/), (/1, 1/) ) 176 Irr(2)%mat(:,:,20) = RESHAPE( (/-1.0/), (/1, 1/) ) 177 Irr(2)%mat(:,:,21) = RESHAPE( (/-1.0/), (/1, 1/) ) 178 Irr(2)%mat(:,:,22) = RESHAPE( (/-1.0/), (/1, 1/) ) 179 Irr(2)%mat(:,:,23) = RESHAPE( (/-1.0/), (/1, 1/) ) 180 Irr(2)%mat(:,:,24) = RESHAPE( (/-1.0/), (/1, 1/) ) 181 182 Irr(3)%name = "Eg1" 183 Irr(3)%dim = 1 184 Irr(3)%nsym = 24 185 ABI_MALLOC(Irr(3)%mat, (1,1,24)) 186 Irr(3)%mat(:,:,1) = RESHAPE( (/1.0/), (/1, 1/) ) 187 Irr(3)%mat(:,:,2) = RESHAPE( (/1.0/), (/1, 1/) ) 188 Irr(3)%mat(:,:,3) = RESHAPE( (/1.0/), (/1, 1/) ) 189 Irr(3)%mat(:,:,4) = RESHAPE( (/1.0/), (/1, 1/) ) 190 Irr(3)%mat(:,:,5) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) ) 191 Irr(3)%mat(:,:,6) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) ) 192 Irr(3)%mat(:,:,7) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) ) 193 Irr(3)%mat(:,:,8) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) ) 194 Irr(3)%mat(:,:,9) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) ) 195 Irr(3)%mat(:,:,10) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) ) 196 Irr(3)%mat(:,:,11) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) ) 197 Irr(3)%mat(:,:,12) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) ) 198 Irr(3)%mat(:,:,13) = RESHAPE( (/1.0/), (/1, 1/) ) 199 Irr(3)%mat(:,:,14) = RESHAPE( (/1.0/), (/1, 1/) ) 200 Irr(3)%mat(:,:,15) = RESHAPE( (/1.0/), (/1, 1/) ) 201 Irr(3)%mat(:,:,16) = RESHAPE( (/1.0/), (/1, 1/) ) 202 Irr(3)%mat(:,:,17) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) ) 203 Irr(3)%mat(:,:,18) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) ) 204 Irr(3)%mat(:,:,19) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) ) 205 Irr(3)%mat(:,:,20) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) ) 206 Irr(3)%mat(:,:,21) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) ) 207 Irr(3)%mat(:,:,22) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) ) 208 Irr(3)%mat(:,:,23) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) ) 209 Irr(3)%mat(:,:,24) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) ) 210 211 Irr(4)%name = "Eu1" 212 Irr(4)%dim = 1 213 Irr(4)%nsym = 24 214 ABI_MALLOC(Irr(4)%mat, (1,1,24)) 215 Irr(4)%mat(:,:,1) = RESHAPE( (/1.0/), (/1, 1/) ) 216 Irr(4)%mat(:,:,2) = RESHAPE( (/1.0/), (/1, 1/) ) 217 Irr(4)%mat(:,:,3) = RESHAPE( (/1.0/), (/1, 1/) ) 218 Irr(4)%mat(:,:,4) = RESHAPE( (/1.0/), (/1, 1/) ) 219 Irr(4)%mat(:,:,5) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) ) 220 Irr(4)%mat(:,:,6) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) ) 221 Irr(4)%mat(:,:,7) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) ) 222 Irr(4)%mat(:,:,8) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) ) 223 Irr(4)%mat(:,:,9) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) ) 224 Irr(4)%mat(:,:,10) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) ) 225 Irr(4)%mat(:,:,11) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) ) 226 Irr(4)%mat(:,:,12) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) ) 227 Irr(4)%mat(:,:,13) = RESHAPE( (/-1.0/), (/1, 1/) ) 228 Irr(4)%mat(:,:,14) = RESHAPE( (/-1.0/), (/1, 1/) ) 229 Irr(4)%mat(:,:,15) = RESHAPE( (/-1.0/), (/1, 1/) ) 230 Irr(4)%mat(:,:,16) = RESHAPE( (/-1.0/), (/1, 1/) ) 231 Irr(4)%mat(:,:,17) = RESHAPE( (/0.5-0.86603*j/), (/1, 1/) ) 232 Irr(4)%mat(:,:,18) = RESHAPE( (/0.5-0.86603*j/), (/1, 1/) ) 233 Irr(4)%mat(:,:,19) = RESHAPE( (/0.5-0.86603*j/), (/1, 1/) ) 234 Irr(4)%mat(:,:,20) = RESHAPE( (/0.5-0.86603*j/), (/1, 1/) ) 235 Irr(4)%mat(:,:,21) = RESHAPE( (/0.5+0.86603*j/), (/1, 1/) ) 236 Irr(4)%mat(:,:,22) = RESHAPE( (/0.5+0.86603*j/), (/1, 1/) ) 237 Irr(4)%mat(:,:,23) = RESHAPE( (/0.5+0.86603*j/), (/1, 1/) ) 238 Irr(4)%mat(:,:,24) = RESHAPE( (/0.5+0.86603*j/), (/1, 1/) ) 239 240 Irr(5)%name = "Eg2" 241 Irr(5)%dim = 1 242 Irr(5)%nsym = 24 243 ABI_MALLOC(Irr(5)%mat, (1,1,24)) 244 Irr(5)%mat(:,:,1) = RESHAPE( (/1.0/), (/1, 1/) ) 245 Irr(5)%mat(:,:,2) = RESHAPE( (/1.0/), (/1, 1/) ) 246 Irr(5)%mat(:,:,3) = RESHAPE( (/1.0/), (/1, 1/) ) 247 Irr(5)%mat(:,:,4) = RESHAPE( (/1.0/), (/1, 1/) ) 248 Irr(5)%mat(:,:,5) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) ) 249 Irr(5)%mat(:,:,6) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) ) 250 Irr(5)%mat(:,:,7) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) ) 251 Irr(5)%mat(:,:,8) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) ) 252 Irr(5)%mat(:,:,9) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) ) 253 Irr(5)%mat(:,:,10) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) ) 254 Irr(5)%mat(:,:,11) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) ) 255 Irr(5)%mat(:,:,12) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) ) 256 Irr(5)%mat(:,:,13) = RESHAPE( (/1.0/), (/1, 1/) ) 257 Irr(5)%mat(:,:,14) = RESHAPE( (/1.0/), (/1, 1/) ) 258 Irr(5)%mat(:,:,15) = RESHAPE( (/1.0/), (/1, 1/) ) 259 Irr(5)%mat(:,:,16) = RESHAPE( (/1.0/), (/1, 1/) ) 260 Irr(5)%mat(:,:,17) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) ) 261 Irr(5)%mat(:,:,18) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) ) 262 Irr(5)%mat(:,:,19) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) ) 263 Irr(5)%mat(:,:,20) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) ) 264 Irr(5)%mat(:,:,21) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) ) 265 Irr(5)%mat(:,:,22) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) ) 266 Irr(5)%mat(:,:,23) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) ) 267 Irr(5)%mat(:,:,24) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) ) 268 269 Irr(6)%name = "Eu2" 270 Irr(6)%dim = 1 271 Irr(6)%nsym = 24 272 ABI_MALLOC(Irr(6)%mat, (1,1,24)) 273 Irr(6)%mat(:,:,1) = RESHAPE( (/1.0/), (/1, 1/) ) 274 Irr(6)%mat(:,:,2) = RESHAPE( (/1.0/), (/1, 1/) ) 275 Irr(6)%mat(:,:,3) = RESHAPE( (/1.0/), (/1, 1/) ) 276 Irr(6)%mat(:,:,4) = RESHAPE( (/1.0/), (/1, 1/) ) 277 Irr(6)%mat(:,:,5) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) ) 278 Irr(6)%mat(:,:,6) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) ) 279 Irr(6)%mat(:,:,7) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) ) 280 Irr(6)%mat(:,:,8) = RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) ) 281 Irr(6)%mat(:,:,9) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) ) 282 Irr(6)%mat(:,:,10) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) ) 283 Irr(6)%mat(:,:,11) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) ) 284 Irr(6)%mat(:,:,12) = RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) ) 285 Irr(6)%mat(:,:,13) = RESHAPE( (/-1.0/), (/1, 1/) ) 286 Irr(6)%mat(:,:,14) = RESHAPE( (/-1.0/), (/1, 1/) ) 287 Irr(6)%mat(:,:,15) = RESHAPE( (/-1.0/), (/1, 1/) ) 288 Irr(6)%mat(:,:,16) = RESHAPE( (/-1.0/), (/1, 1/) ) 289 Irr(6)%mat(:,:,17) = RESHAPE( (/0.5+0.86603*j/), (/1, 1/) ) 290 Irr(6)%mat(:,:,18) = RESHAPE( (/0.5+0.86603*j/), (/1, 1/) ) 291 Irr(6)%mat(:,:,19) = RESHAPE( (/0.5+0.86603*j/), (/1, 1/) ) 292 Irr(6)%mat(:,:,20) = RESHAPE( (/0.5+0.86603*j/), (/1, 1/) ) 293 Irr(6)%mat(:,:,21) = RESHAPE( (/0.5-0.86603*j/), (/1, 1/) ) 294 Irr(6)%mat(:,:,22) = RESHAPE( (/0.5-0.86603*j/), (/1, 1/) ) 295 Irr(6)%mat(:,:,23) = RESHAPE( (/0.5-0.86603*j/), (/1, 1/) ) 296 Irr(6)%mat(:,:,24) = RESHAPE( (/0.5-0.86603*j/), (/1, 1/) ) 297 298 Irr(7)%name = "Tu" 299 Irr(7)%dim = 3 300 Irr(7)%nsym = 24 301 ABI_MALLOC(Irr(7)%mat, (3,3,24)) 302 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/) ) 303 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/) ) 304 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/) ) 305 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/) ) 306 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/) ) 307 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/) ) 308 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/) ) 309 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/) ) 310 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/) ) 311 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/) ) 312 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/) ) 313 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/) ) 314 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/) ) 315 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/) ) 316 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/) ) 317 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/) ) 318 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/) ) 319 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/) ) 320 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/) ) 321 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/) ) 322 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/) ) 323 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/) ) 324 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/) ) 325 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/) ) 326 327 Irr(8)%name = "Tg" 328 Irr(8)%dim = 3 329 Irr(8)%nsym = 24 330 ABI_MALLOC(Irr(8)%mat, (3,3,24)) 331 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/) ) 332 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/) ) 333 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/) ) 334 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/) ) 335 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/) ) 336 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/) ) 337 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/) ) 338 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/) ) 339 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/) ) 340 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/) ) 341 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/) ) 342 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/) ) 343 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/) ) 344 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/) ) 345 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/) ) 346 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/) ) 347 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/) ) 348 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/) ) 349 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/) ) 350 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/) ) 351 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/) ) 352 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/) ) 353 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/) ) 354 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/) ) 355 356 RETURN 357 if (.FALSE.) write(std_out,*) j 358 end subroutine ptg_Th