TABLE OF CONTENTS
ABINIT/ptg_Oh [ Functions ]
NAME
ptg_Oh
FUNCTION
COPYRIGHT
Copyright (C) 2010-2024 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 Oh (m-3m) 27 28 #if defined HAVE_CONFIG_H 29 #include "config.h" 30 #endif 31 32 #include "abi_common.h" 33 34 module m_ptg_Oh 35 36 #ifdef FC_INTEL 37 !DEC$ NOOPTIMIZE 38 #endif 39 40 contains 41 !!** 42 subroutine ptg_Oh (nsym,nclass,sym,class_ids,class_names,Irr) 43 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(dpc) :: j=(0.0_dp,1.0_dp) 56 ! ******************************************************************************** 57 ! List of symmetries packed in classes 58 nsym = 48 59 ABI_MALLOC(sym, (3,3,nsym)) 60 sym(:,:,1) = RESHAPE( (/1, 0, 0, 0, 1, 0, 0, 0, 1/) ,(/3,3/) ) 61 sym(:,:,2) = RESHAPE( (/-1, 0, 0, 0, -1, 0, 0, 0, 1/) ,(/3,3/) ) 62 sym(:,:,3) = RESHAPE( (/1, 0, 0, 0, -1, 0, 0, 0, -1/) ,(/3,3/) ) 63 sym(:,:,4) = RESHAPE( (/-1, 0, 0, 0, 1, 0, 0, 0, -1/) ,(/3,3/) ) 64 sym(:,:,5) = RESHAPE( (/0, 1, 0, 0, 0, 1, 1, 0, 0/) ,(/3,3/) ) 65 sym(:,:,6) = RESHAPE( (/0, -1, 0, 0, 0, -1, 1, 0, 0/) ,(/3,3/) ) 66 sym(:,:,7) = RESHAPE( (/0, 1, 0, 0, 0, -1, -1, 0, 0/) ,(/3,3/) ) 67 sym(:,:,8) = RESHAPE( (/0, -1, 0, 0, 0, 1, -1, 0, 0/) ,(/3,3/) ) 68 sym(:,:,9) = RESHAPE( (/0, 0, 1, 1, 0, 0, 0, 1, 0/) ,(/3,3/) ) 69 sym(:,:,10) = RESHAPE( (/0, 0, -1, -1, 0, 0, 0, 1, 0/) ,(/3,3/) ) 70 sym(:,:,11) = RESHAPE( (/0, 0, 1, -1, 0, 0, 0, -1, 0/) ,(/3,3/) ) 71 sym(:,:,12) = RESHAPE( (/0, 0, -1, 1, 0, 0, 0, -1, 0/) ,(/3,3/) ) 72 sym(:,:,13) = RESHAPE( (/0, 1, 0, 1, 0, 0, 0, 0, -1/) ,(/3,3/) ) 73 sym(:,:,14) = RESHAPE( (/0, -1, 0, -1, 0, 0, 0, 0, -1/) ,(/3,3/) ) 74 sym(:,:,15) = RESHAPE( (/-1, 0, 0, 0, 0, 1, 0, 1, 0/) ,(/3,3/) ) 75 sym(:,:,16) = RESHAPE( (/-1, 0, 0, 0, 0, -1, 0, -1, 0/) ,(/3,3/) ) 76 sym(:,:,17) = RESHAPE( (/0, 0, 1, 0, -1, 0, 1, 0, 0/) ,(/3,3/) ) 77 sym(:,:,18) = RESHAPE( (/0, 0, -1, 0, -1, 0, -1, 0, 0/) ,(/3,3/) ) 78 sym(:,:,19) = RESHAPE( (/0, 1, 0, -1, 0, 0, 0, 0, 1/) ,(/3,3/) ) 79 sym(:,:,20) = RESHAPE( (/0, -1, 0, 1, 0, 0, 0, 0, 1/) ,(/3,3/) ) 80 sym(:,:,21) = RESHAPE( (/1, 0, 0, 0, 0, -1, 0, 1, 0/) ,(/3,3/) ) 81 sym(:,:,22) = RESHAPE( (/1, 0, 0, 0, 0, 1, 0, -1, 0/) ,(/3,3/) ) 82 sym(:,:,23) = RESHAPE( (/0, 0, -1, 0, 1, 0, 1, 0, 0/) ,(/3,3/) ) 83 sym(:,:,24) = RESHAPE( (/0, 0, 1, 0, 1, 0, -1, 0, 0/) ,(/3,3/) ) 84 sym(:,:,25) = RESHAPE( (/-1, 0, 0, 0, -1, 0, 0, 0, -1/) ,(/3,3/) ) 85 sym(:,:,26) = RESHAPE( (/1, 0, 0, 0, 1, 0, 0, 0, -1/) ,(/3,3/) ) 86 sym(:,:,27) = RESHAPE( (/-1, 0, 0, 0, 1, 0, 0, 0, 1/) ,(/3,3/) ) 87 sym(:,:,28) = RESHAPE( (/1, 0, 0, 0, -1, 0, 0, 0, 1/) ,(/3,3/) ) 88 sym(:,:,29) = RESHAPE( (/0, -1, 0, 0, 0, -1, -1, 0, 0/) ,(/3,3/) ) 89 sym(:,:,30) = RESHAPE( (/0, 1, 0, 0, 0, 1, -1, 0, 0/) ,(/3,3/) ) 90 sym(:,:,31) = RESHAPE( (/0, -1, 0, 0, 0, 1, 1, 0, 0/) ,(/3,3/) ) 91 sym(:,:,32) = RESHAPE( (/0, 1, 0, 0, 0, -1, 1, 0, 0/) ,(/3,3/) ) 92 sym(:,:,33) = RESHAPE( (/0, 0, -1, -1, 0, 0, 0, -1, 0/) ,(/3,3/) ) 93 sym(:,:,34) = RESHAPE( (/0, 0, 1, 1, 0, 0, 0, -1, 0/) ,(/3,3/) ) 94 sym(:,:,35) = RESHAPE( (/0, 0, -1, 1, 0, 0, 0, 1, 0/) ,(/3,3/) ) 95 sym(:,:,36) = RESHAPE( (/0, 0, 1, -1, 0, 0, 0, 1, 0/) ,(/3,3/) ) 96 sym(:,:,37) = RESHAPE( (/0, -1, 0, -1, 0, 0, 0, 0, 1/) ,(/3,3/) ) 97 sym(:,:,38) = RESHAPE( (/0, 1, 0, 1, 0, 0, 0, 0, 1/) ,(/3,3/) ) 98 sym(:,:,39) = RESHAPE( (/1, 0, 0, 0, 0, -1, 0, -1, 0/) ,(/3,3/) ) 99 sym(:,:,40) = RESHAPE( (/1, 0, 0, 0, 0, 1, 0, 1, 0/) ,(/3,3/) ) 100 sym(:,:,41) = RESHAPE( (/0, 0, -1, 0, 1, 0, -1, 0, 0/) ,(/3,3/) ) 101 sym(:,:,42) = RESHAPE( (/0, 0, 1, 0, 1, 0, 1, 0, 0/) ,(/3,3/) ) 102 sym(:,:,43) = RESHAPE( (/0, -1, 0, 1, 0, 0, 0, 0, -1/) ,(/3,3/) ) 103 sym(:,:,44) = RESHAPE( (/0, 1, 0, -1, 0, 0, 0, 0, -1/) ,(/3,3/) ) 104 sym(:,:,45) = RESHAPE( (/-1, 0, 0, 0, 0, 1, 0, -1, 0/) ,(/3,3/) ) 105 sym(:,:,46) = RESHAPE( (/-1, 0, 0, 0, 0, -1, 0, 1, 0/) ,(/3,3/) ) 106 sym(:,:,47) = RESHAPE( (/0, 0, 1, 0, -1, 0, -1, 0, 0/) ,(/3,3/) ) 107 sym(:,:,48) = RESHAPE( (/0, 0, -1, 0, -1, 0, 1, 0, 0/) ,(/3,3/) ) 108 109 ! Number of classes and corresponding indices 110 nclass = 10 111 ABI_MALLOC(class_ids, (2,nclass)) 112 class_ids(1,1) = 1 113 class_ids(2,1) = 1 114 class_ids(1,2) = 2 115 class_ids(2,2) = 4 116 class_ids(1,3) = 5 117 class_ids(2,3) = 12 118 class_ids(1,4) = 13 119 class_ids(2,4) = 18 120 class_ids(1,5) = 19 121 class_ids(2,5) = 24 122 class_ids(1,6) = 25 123 class_ids(2,6) = 25 124 class_ids(1,7) = 26 125 class_ids(2,7) = 28 126 class_ids(1,8) = 29 127 class_ids(2,8) = 36 128 class_ids(1,9) = 37 129 class_ids(2,9) = 42 130 class_ids(1,10) = 43 131 class_ids(2,10) = 48 132 133 ABI_MALLOC(class_names,(10)) 134 class_names(1) = "1+" 135 class_names(2) = "2+" 136 class_names(3) = "3+" 137 class_names(4) = "2+" 138 class_names(5) = "4+" 139 class_names(6) = "-2-" 140 class_names(7) = "-2+" 141 class_names(8) = "-6-" 142 class_names(9) = "-2+" 143 class_names(10) = "-4+" 144 145 ! List of irreducible representations. 146 ABI_MALLOC(Irr, (10)) 147 Irr(1)%name = "A1g" 148 Irr(1)%dim = 1 149 Irr(1)%nsym = 48 150 ABI_MALLOC(Irr(1)%mat, (1,1,48)) 151 Irr(1)%mat(:,:,1) = RESHAPE( (/1.0/), (/1, 1/) ) 152 Irr(1)%mat(:,:,2) = RESHAPE( (/1.0/), (/1, 1/) ) 153 Irr(1)%mat(:,:,3) = RESHAPE( (/1.0/), (/1, 1/) ) 154 Irr(1)%mat(:,:,4) = RESHAPE( (/1.0/), (/1, 1/) ) 155 Irr(1)%mat(:,:,5) = RESHAPE( (/1.0/), (/1, 1/) ) 156 Irr(1)%mat(:,:,6) = RESHAPE( (/1.0/), (/1, 1/) ) 157 Irr(1)%mat(:,:,7) = RESHAPE( (/1.0/), (/1, 1/) ) 158 Irr(1)%mat(:,:,8) = RESHAPE( (/1.0/), (/1, 1/) ) 159 Irr(1)%mat(:,:,9) = RESHAPE( (/1.0/), (/1, 1/) ) 160 Irr(1)%mat(:,:,10) = RESHAPE( (/1.0/), (/1, 1/) ) 161 Irr(1)%mat(:,:,11) = RESHAPE( (/1.0/), (/1, 1/) ) 162 Irr(1)%mat(:,:,12) = RESHAPE( (/1.0/), (/1, 1/) ) 163 Irr(1)%mat(:,:,13) = RESHAPE( (/1.0/), (/1, 1/) ) 164 Irr(1)%mat(:,:,14) = RESHAPE( (/1.0/), (/1, 1/) ) 165 Irr(1)%mat(:,:,15) = RESHAPE( (/1.0/), (/1, 1/) ) 166 Irr(1)%mat(:,:,16) = RESHAPE( (/1.0/), (/1, 1/) ) 167 Irr(1)%mat(:,:,17) = RESHAPE( (/1.0/), (/1, 1/) ) 168 Irr(1)%mat(:,:,18) = RESHAPE( (/1.0/), (/1, 1/) ) 169 Irr(1)%mat(:,:,19) = RESHAPE( (/1.0/), (/1, 1/) ) 170 Irr(1)%mat(:,:,20) = RESHAPE( (/1.0/), (/1, 1/) ) 171 Irr(1)%mat(:,:,21) = RESHAPE( (/1.0/), (/1, 1/) ) 172 Irr(1)%mat(:,:,22) = RESHAPE( (/1.0/), (/1, 1/) ) 173 Irr(1)%mat(:,:,23) = RESHAPE( (/1.0/), (/1, 1/) ) 174 Irr(1)%mat(:,:,24) = RESHAPE( (/1.0/), (/1, 1/) ) 175 Irr(1)%mat(:,:,25) = RESHAPE( (/1.0/), (/1, 1/) ) 176 Irr(1)%mat(:,:,26) = RESHAPE( (/1.0/), (/1, 1/) ) 177 Irr(1)%mat(:,:,27) = RESHAPE( (/1.0/), (/1, 1/) ) 178 Irr(1)%mat(:,:,28) = RESHAPE( (/1.0/), (/1, 1/) ) 179 Irr(1)%mat(:,:,29) = RESHAPE( (/1.0/), (/1, 1/) ) 180 Irr(1)%mat(:,:,30) = RESHAPE( (/1.0/), (/1, 1/) ) 181 Irr(1)%mat(:,:,31) = RESHAPE( (/1.0/), (/1, 1/) ) 182 Irr(1)%mat(:,:,32) = RESHAPE( (/1.0/), (/1, 1/) ) 183 Irr(1)%mat(:,:,33) = RESHAPE( (/1.0/), (/1, 1/) ) 184 Irr(1)%mat(:,:,34) = RESHAPE( (/1.0/), (/1, 1/) ) 185 Irr(1)%mat(:,:,35) = RESHAPE( (/1.0/), (/1, 1/) ) 186 Irr(1)%mat(:,:,36) = RESHAPE( (/1.0/), (/1, 1/) ) 187 Irr(1)%mat(:,:,37) = RESHAPE( (/1.0/), (/1, 1/) ) 188 Irr(1)%mat(:,:,38) = RESHAPE( (/1.0/), (/1, 1/) ) 189 Irr(1)%mat(:,:,39) = RESHAPE( (/1.0/), (/1, 1/) ) 190 Irr(1)%mat(:,:,40) = RESHAPE( (/1.0/), (/1, 1/) ) 191 Irr(1)%mat(:,:,41) = RESHAPE( (/1.0/), (/1, 1/) ) 192 Irr(1)%mat(:,:,42) = RESHAPE( (/1.0/), (/1, 1/) ) 193 Irr(1)%mat(:,:,43) = RESHAPE( (/1.0/), (/1, 1/) ) 194 Irr(1)%mat(:,:,44) = RESHAPE( (/1.0/), (/1, 1/) ) 195 Irr(1)%mat(:,:,45) = RESHAPE( (/1.0/), (/1, 1/) ) 196 Irr(1)%mat(:,:,46) = RESHAPE( (/1.0/), (/1, 1/) ) 197 Irr(1)%mat(:,:,47) = RESHAPE( (/1.0/), (/1, 1/) ) 198 Irr(1)%mat(:,:,48) = RESHAPE( (/1.0/), (/1, 1/) ) 199 200 Irr(2)%name = "A1u" 201 Irr(2)%dim = 1 202 Irr(2)%nsym = 48 203 ABI_MALLOC(Irr(2)%mat, (1,1,48)) 204 Irr(2)%mat(:,:,1) = RESHAPE( (/1.0/), (/1, 1/) ) 205 Irr(2)%mat(:,:,2) = RESHAPE( (/1.0/), (/1, 1/) ) 206 Irr(2)%mat(:,:,3) = RESHAPE( (/1.0/), (/1, 1/) ) 207 Irr(2)%mat(:,:,4) = RESHAPE( (/1.0/), (/1, 1/) ) 208 Irr(2)%mat(:,:,5) = RESHAPE( (/1.0/), (/1, 1/) ) 209 Irr(2)%mat(:,:,6) = RESHAPE( (/1.0/), (/1, 1/) ) 210 Irr(2)%mat(:,:,7) = RESHAPE( (/1.0/), (/1, 1/) ) 211 Irr(2)%mat(:,:,8) = RESHAPE( (/1.0/), (/1, 1/) ) 212 Irr(2)%mat(:,:,9) = RESHAPE( (/1.0/), (/1, 1/) ) 213 Irr(2)%mat(:,:,10) = RESHAPE( (/1.0/), (/1, 1/) ) 214 Irr(2)%mat(:,:,11) = RESHAPE( (/1.0/), (/1, 1/) ) 215 Irr(2)%mat(:,:,12) = RESHAPE( (/1.0/), (/1, 1/) ) 216 Irr(2)%mat(:,:,13) = RESHAPE( (/1.0/), (/1, 1/) ) 217 Irr(2)%mat(:,:,14) = RESHAPE( (/1.0/), (/1, 1/) ) 218 Irr(2)%mat(:,:,15) = RESHAPE( (/1.0/), (/1, 1/) ) 219 Irr(2)%mat(:,:,16) = RESHAPE( (/1.0/), (/1, 1/) ) 220 Irr(2)%mat(:,:,17) = RESHAPE( (/1.0/), (/1, 1/) ) 221 Irr(2)%mat(:,:,18) = RESHAPE( (/1.0/), (/1, 1/) ) 222 Irr(2)%mat(:,:,19) = RESHAPE( (/1.0/), (/1, 1/) ) 223 Irr(2)%mat(:,:,20) = RESHAPE( (/1.0/), (/1, 1/) ) 224 Irr(2)%mat(:,:,21) = RESHAPE( (/1.0/), (/1, 1/) ) 225 Irr(2)%mat(:,:,22) = RESHAPE( (/1.0/), (/1, 1/) ) 226 Irr(2)%mat(:,:,23) = RESHAPE( (/1.0/), (/1, 1/) ) 227 Irr(2)%mat(:,:,24) = RESHAPE( (/1.0/), (/1, 1/) ) 228 Irr(2)%mat(:,:,25) = RESHAPE( (/-1.0/), (/1, 1/) ) 229 Irr(2)%mat(:,:,26) = RESHAPE( (/-1.0/), (/1, 1/) ) 230 Irr(2)%mat(:,:,27) = RESHAPE( (/-1.0/), (/1, 1/) ) 231 Irr(2)%mat(:,:,28) = RESHAPE( (/-1.0/), (/1, 1/) ) 232 Irr(2)%mat(:,:,29) = RESHAPE( (/-1.0/), (/1, 1/) ) 233 Irr(2)%mat(:,:,30) = RESHAPE( (/-1.0/), (/1, 1/) ) 234 Irr(2)%mat(:,:,31) = RESHAPE( (/-1.0/), (/1, 1/) ) 235 Irr(2)%mat(:,:,32) = RESHAPE( (/-1.0/), (/1, 1/) ) 236 Irr(2)%mat(:,:,33) = RESHAPE( (/-1.0/), (/1, 1/) ) 237 Irr(2)%mat(:,:,34) = RESHAPE( (/-1.0/), (/1, 1/) ) 238 Irr(2)%mat(:,:,35) = RESHAPE( (/-1.0/), (/1, 1/) ) 239 Irr(2)%mat(:,:,36) = RESHAPE( (/-1.0/), (/1, 1/) ) 240 Irr(2)%mat(:,:,37) = RESHAPE( (/-1.0/), (/1, 1/) ) 241 Irr(2)%mat(:,:,38) = RESHAPE( (/-1.0/), (/1, 1/) ) 242 Irr(2)%mat(:,:,39) = RESHAPE( (/-1.0/), (/1, 1/) ) 243 Irr(2)%mat(:,:,40) = RESHAPE( (/-1.0/), (/1, 1/) ) 244 Irr(2)%mat(:,:,41) = RESHAPE( (/-1.0/), (/1, 1/) ) 245 Irr(2)%mat(:,:,42) = RESHAPE( (/-1.0/), (/1, 1/) ) 246 Irr(2)%mat(:,:,43) = RESHAPE( (/-1.0/), (/1, 1/) ) 247 Irr(2)%mat(:,:,44) = RESHAPE( (/-1.0/), (/1, 1/) ) 248 Irr(2)%mat(:,:,45) = RESHAPE( (/-1.0/), (/1, 1/) ) 249 Irr(2)%mat(:,:,46) = RESHAPE( (/-1.0/), (/1, 1/) ) 250 Irr(2)%mat(:,:,47) = RESHAPE( (/-1.0/), (/1, 1/) ) 251 Irr(2)%mat(:,:,48) = RESHAPE( (/-1.0/), (/1, 1/) ) 252 253 Irr(3)%name = "A2g" 254 Irr(3)%dim = 1 255 Irr(3)%nsym = 48 256 ABI_MALLOC(Irr(3)%mat, (1,1,48)) 257 Irr(3)%mat(:,:,1) = RESHAPE( (/1.0/), (/1, 1/) ) 258 Irr(3)%mat(:,:,2) = RESHAPE( (/1.0/), (/1, 1/) ) 259 Irr(3)%mat(:,:,3) = RESHAPE( (/1.0/), (/1, 1/) ) 260 Irr(3)%mat(:,:,4) = RESHAPE( (/1.0/), (/1, 1/) ) 261 Irr(3)%mat(:,:,5) = RESHAPE( (/1.0/), (/1, 1/) ) 262 Irr(3)%mat(:,:,6) = RESHAPE( (/1.0/), (/1, 1/) ) 263 Irr(3)%mat(:,:,7) = RESHAPE( (/1.0/), (/1, 1/) ) 264 Irr(3)%mat(:,:,8) = RESHAPE( (/1.0/), (/1, 1/) ) 265 Irr(3)%mat(:,:,9) = RESHAPE( (/1.0/), (/1, 1/) ) 266 Irr(3)%mat(:,:,10) = RESHAPE( (/1.0/), (/1, 1/) ) 267 Irr(3)%mat(:,:,11) = RESHAPE( (/1.0/), (/1, 1/) ) 268 Irr(3)%mat(:,:,12) = RESHAPE( (/1.0/), (/1, 1/) ) 269 Irr(3)%mat(:,:,13) = RESHAPE( (/-1.0/), (/1, 1/) ) 270 Irr(3)%mat(:,:,14) = RESHAPE( (/-1.0/), (/1, 1/) ) 271 Irr(3)%mat(:,:,15) = RESHAPE( (/-1.0/), (/1, 1/) ) 272 Irr(3)%mat(:,:,16) = RESHAPE( (/-1.0/), (/1, 1/) ) 273 Irr(3)%mat(:,:,17) = RESHAPE( (/-1.0/), (/1, 1/) ) 274 Irr(3)%mat(:,:,18) = RESHAPE( (/-1.0/), (/1, 1/) ) 275 Irr(3)%mat(:,:,19) = RESHAPE( (/-1.0/), (/1, 1/) ) 276 Irr(3)%mat(:,:,20) = RESHAPE( (/-1.0/), (/1, 1/) ) 277 Irr(3)%mat(:,:,21) = RESHAPE( (/-1.0/), (/1, 1/) ) 278 Irr(3)%mat(:,:,22) = RESHAPE( (/-1.0/), (/1, 1/) ) 279 Irr(3)%mat(:,:,23) = RESHAPE( (/-1.0/), (/1, 1/) ) 280 Irr(3)%mat(:,:,24) = RESHAPE( (/-1.0/), (/1, 1/) ) 281 Irr(3)%mat(:,:,25) = RESHAPE( (/1.0/), (/1, 1/) ) 282 Irr(3)%mat(:,:,26) = RESHAPE( (/1.0/), (/1, 1/) ) 283 Irr(3)%mat(:,:,27) = RESHAPE( (/1.0/), (/1, 1/) ) 284 Irr(3)%mat(:,:,28) = RESHAPE( (/1.0/), (/1, 1/) ) 285 Irr(3)%mat(:,:,29) = RESHAPE( (/1.0/), (/1, 1/) ) 286 Irr(3)%mat(:,:,30) = RESHAPE( (/1.0/), (/1, 1/) ) 287 Irr(3)%mat(:,:,31) = RESHAPE( (/1.0/), (/1, 1/) ) 288 Irr(3)%mat(:,:,32) = RESHAPE( (/1.0/), (/1, 1/) ) 289 Irr(3)%mat(:,:,33) = RESHAPE( (/1.0/), (/1, 1/) ) 290 Irr(3)%mat(:,:,34) = RESHAPE( (/1.0/), (/1, 1/) ) 291 Irr(3)%mat(:,:,35) = RESHAPE( (/1.0/), (/1, 1/) ) 292 Irr(3)%mat(:,:,36) = RESHAPE( (/1.0/), (/1, 1/) ) 293 Irr(3)%mat(:,:,37) = RESHAPE( (/-1.0/), (/1, 1/) ) 294 Irr(3)%mat(:,:,38) = RESHAPE( (/-1.0/), (/1, 1/) ) 295 Irr(3)%mat(:,:,39) = RESHAPE( (/-1.0/), (/1, 1/) ) 296 Irr(3)%mat(:,:,40) = RESHAPE( (/-1.0/), (/1, 1/) ) 297 Irr(3)%mat(:,:,41) = RESHAPE( (/-1.0/), (/1, 1/) ) 298 Irr(3)%mat(:,:,42) = RESHAPE( (/-1.0/), (/1, 1/) ) 299 Irr(3)%mat(:,:,43) = RESHAPE( (/-1.0/), (/1, 1/) ) 300 Irr(3)%mat(:,:,44) = RESHAPE( (/-1.0/), (/1, 1/) ) 301 Irr(3)%mat(:,:,45) = RESHAPE( (/-1.0/), (/1, 1/) ) 302 Irr(3)%mat(:,:,46) = RESHAPE( (/-1.0/), (/1, 1/) ) 303 Irr(3)%mat(:,:,47) = RESHAPE( (/-1.0/), (/1, 1/) ) 304 Irr(3)%mat(:,:,48) = RESHAPE( (/-1.0/), (/1, 1/) ) 305 306 Irr(4)%name = "A2u" 307 Irr(4)%dim = 1 308 Irr(4)%nsym = 48 309 ABI_MALLOC(Irr(4)%mat, (1,1,48)) 310 Irr(4)%mat(:,:,1) = RESHAPE( (/1.0/), (/1, 1/) ) 311 Irr(4)%mat(:,:,2) = RESHAPE( (/1.0/), (/1, 1/) ) 312 Irr(4)%mat(:,:,3) = RESHAPE( (/1.0/), (/1, 1/) ) 313 Irr(4)%mat(:,:,4) = RESHAPE( (/1.0/), (/1, 1/) ) 314 Irr(4)%mat(:,:,5) = RESHAPE( (/1.0/), (/1, 1/) ) 315 Irr(4)%mat(:,:,6) = RESHAPE( (/1.0/), (/1, 1/) ) 316 Irr(4)%mat(:,:,7) = RESHAPE( (/1.0/), (/1, 1/) ) 317 Irr(4)%mat(:,:,8) = RESHAPE( (/1.0/), (/1, 1/) ) 318 Irr(4)%mat(:,:,9) = RESHAPE( (/1.0/), (/1, 1/) ) 319 Irr(4)%mat(:,:,10) = RESHAPE( (/1.0/), (/1, 1/) ) 320 Irr(4)%mat(:,:,11) = RESHAPE( (/1.0/), (/1, 1/) ) 321 Irr(4)%mat(:,:,12) = RESHAPE( (/1.0/), (/1, 1/) ) 322 Irr(4)%mat(:,:,13) = RESHAPE( (/-1.0/), (/1, 1/) ) 323 Irr(4)%mat(:,:,14) = RESHAPE( (/-1.0/), (/1, 1/) ) 324 Irr(4)%mat(:,:,15) = RESHAPE( (/-1.0/), (/1, 1/) ) 325 Irr(4)%mat(:,:,16) = RESHAPE( (/-1.0/), (/1, 1/) ) 326 Irr(4)%mat(:,:,17) = RESHAPE( (/-1.0/), (/1, 1/) ) 327 Irr(4)%mat(:,:,18) = RESHAPE( (/-1.0/), (/1, 1/) ) 328 Irr(4)%mat(:,:,19) = RESHAPE( (/-1.0/), (/1, 1/) ) 329 Irr(4)%mat(:,:,20) = RESHAPE( (/-1.0/), (/1, 1/) ) 330 Irr(4)%mat(:,:,21) = RESHAPE( (/-1.0/), (/1, 1/) ) 331 Irr(4)%mat(:,:,22) = RESHAPE( (/-1.0/), (/1, 1/) ) 332 Irr(4)%mat(:,:,23) = RESHAPE( (/-1.0/), (/1, 1/) ) 333 Irr(4)%mat(:,:,24) = RESHAPE( (/-1.0/), (/1, 1/) ) 334 Irr(4)%mat(:,:,25) = RESHAPE( (/-1.0/), (/1, 1/) ) 335 Irr(4)%mat(:,:,26) = RESHAPE( (/-1.0/), (/1, 1/) ) 336 Irr(4)%mat(:,:,27) = RESHAPE( (/-1.0/), (/1, 1/) ) 337 Irr(4)%mat(:,:,28) = RESHAPE( (/-1.0/), (/1, 1/) ) 338 Irr(4)%mat(:,:,29) = RESHAPE( (/-1.0/), (/1, 1/) ) 339 Irr(4)%mat(:,:,30) = RESHAPE( (/-1.0/), (/1, 1/) ) 340 Irr(4)%mat(:,:,31) = RESHAPE( (/-1.0/), (/1, 1/) ) 341 Irr(4)%mat(:,:,32) = RESHAPE( (/-1.0/), (/1, 1/) ) 342 Irr(4)%mat(:,:,33) = RESHAPE( (/-1.0/), (/1, 1/) ) 343 Irr(4)%mat(:,:,34) = RESHAPE( (/-1.0/), (/1, 1/) ) 344 Irr(4)%mat(:,:,35) = RESHAPE( (/-1.0/), (/1, 1/) ) 345 Irr(4)%mat(:,:,36) = RESHAPE( (/-1.0/), (/1, 1/) ) 346 Irr(4)%mat(:,:,37) = RESHAPE( (/1.0/), (/1, 1/) ) 347 Irr(4)%mat(:,:,38) = RESHAPE( (/1.0/), (/1, 1/) ) 348 Irr(4)%mat(:,:,39) = RESHAPE( (/1.0/), (/1, 1/) ) 349 Irr(4)%mat(:,:,40) = RESHAPE( (/1.0/), (/1, 1/) ) 350 Irr(4)%mat(:,:,41) = RESHAPE( (/1.0/), (/1, 1/) ) 351 Irr(4)%mat(:,:,42) = RESHAPE( (/1.0/), (/1, 1/) ) 352 Irr(4)%mat(:,:,43) = RESHAPE( (/1.0/), (/1, 1/) ) 353 Irr(4)%mat(:,:,44) = RESHAPE( (/1.0/), (/1, 1/) ) 354 Irr(4)%mat(:,:,45) = RESHAPE( (/1.0/), (/1, 1/) ) 355 Irr(4)%mat(:,:,46) = RESHAPE( (/1.0/), (/1, 1/) ) 356 Irr(4)%mat(:,:,47) = RESHAPE( (/1.0/), (/1, 1/) ) 357 Irr(4)%mat(:,:,48) = RESHAPE( (/1.0/), (/1, 1/) ) 358 359 Irr(5)%name = "Eu" 360 Irr(5)%dim = 2 361 Irr(5)%nsym = 48 362 ABI_MALLOC(Irr(5)%mat, (2,2,48)) 363 Irr(5)%mat(:,:,1) = RESHAPE( (/1.0, 0.0, 0.0, 1.0/), (/2, 2/) ) 364 Irr(5)%mat(:,:,2) = RESHAPE( (/1.0, 0.0, 0.0, 1.0/), (/2, 2/) ) 365 Irr(5)%mat(:,:,3) = RESHAPE( (/1.0, 0.0, 0.0, 1.0/), (/2, 2/) ) 366 Irr(5)%mat(:,:,4) = RESHAPE( (/1.0, 0.0, 0.0, 1.0/), (/2, 2/) ) 367 Irr(5)%mat(:,:,5) = RESHAPE( (/-0.5+0.86603*j, 0*j, 0*j, -0.5-0.86603*j/), (/2, 2/) ) 368 Irr(5)%mat(:,:,6) = RESHAPE( (/-0.5+0.86603*j, 0*j, 0*j, -0.5-0.86603*j/), (/2, 2/) ) 369 Irr(5)%mat(:,:,7) = RESHAPE( (/-0.5+0.86603*j, 0*j, 0*j, -0.5-0.86603*j/), (/2, 2/) ) 370 Irr(5)%mat(:,:,8) = RESHAPE( (/-0.5+0.86603*j, 0*j, 0*j, -0.5-0.86603*j/), (/2, 2/) ) 371 Irr(5)%mat(:,:,9) = RESHAPE( (/-0.5-0.86603*j, 0*j, 0*j, -0.5+0.86603*j/), (/2, 2/) ) 372 Irr(5)%mat(:,:,10) = RESHAPE( (/-0.5-0.86603*j, 0*j, 0*j, -0.5+0.86603*j/), (/2, 2/) ) 373 Irr(5)%mat(:,:,11) = RESHAPE( (/-0.5-0.86603*j, 0*j, 0*j, -0.5+0.86603*j/), (/2, 2/) ) 374 Irr(5)%mat(:,:,12) = RESHAPE( (/-0.5-0.86603*j, 0*j, 0*j, -0.5+0.86603*j/), (/2, 2/) ) 375 Irr(5)%mat(:,:,13) = RESHAPE( (/0.0, 1.0, 1.0, 0.0/), (/2, 2/) ) 376 Irr(5)%mat(:,:,14) = RESHAPE( (/0.0, 1.0, 1.0, 0.0/), (/2, 2/) ) 377 Irr(5)%mat(:,:,15) = RESHAPE( (/0*j, -0.5+0.86603*j, -0.5-0.86603*j, 0*j/), (/2, 2/) ) 378 Irr(5)%mat(:,:,16) = RESHAPE( (/0*j, -0.5+0.86603*j, -0.5-0.86603*j, 0*j/), (/2, 2/) ) 379 Irr(5)%mat(:,:,17) = RESHAPE( (/0*j, -0.5-0.86603*j, -0.5+0.86603*j, 0*j/), (/2, 2/) ) 380 Irr(5)%mat(:,:,18) = RESHAPE( (/0*j, -0.5-0.86603*j, -0.5+0.86603*j, 0*j/), (/2, 2/) ) 381 Irr(5)%mat(:,:,19) = RESHAPE( (/0.0, 1.0, 1.0, 0.0/), (/2, 2/) ) 382 Irr(5)%mat(:,:,20) = RESHAPE( (/0.0, 1.0, 1.0, 0.0/), (/2, 2/) ) 383 Irr(5)%mat(:,:,21) = RESHAPE( (/0*j, -0.5+0.86603*j, -0.5-0.86603*j, 0*j/), (/2, 2/) ) 384 Irr(5)%mat(:,:,22) = RESHAPE( (/0*j, -0.5+0.86603*j, -0.5-0.86603*j, 0*j/), (/2, 2/) ) 385 Irr(5)%mat(:,:,23) = RESHAPE( (/0*j, -0.5-0.86603*j, -0.5+0.86603*j, 0*j/), (/2, 2/) ) 386 Irr(5)%mat(:,:,24) = RESHAPE( (/0*j, -0.5-0.86603*j, -0.5+0.86603*j, 0*j/), (/2, 2/) ) 387 Irr(5)%mat(:,:,25) = RESHAPE( (/-1.0, 0.0, 0.0, -1.0/), (/2, 2/) ) 388 Irr(5)%mat(:,:,26) = RESHAPE( (/-1.0, 0.0, 0.0, -1.0/), (/2, 2/) ) 389 Irr(5)%mat(:,:,27) = RESHAPE( (/-1.0, 0.0, 0.0, -1.0/), (/2, 2/) ) 390 Irr(5)%mat(:,:,28) = RESHAPE( (/-1.0, 0.0, 0.0, -1.0/), (/2, 2/) ) 391 Irr(5)%mat(:,:,29) = RESHAPE( (/0.5-0.86603*j, 0*j, 0*j, 0.5+0.86603*j/), (/2, 2/) ) 392 Irr(5)%mat(:,:,30) = RESHAPE( (/0.5-0.86603*j, 0*j, 0*j, 0.5+0.86603*j/), (/2, 2/) ) 393 Irr(5)%mat(:,:,31) = RESHAPE( (/0.5-0.86603*j, 0*j, 0*j, 0.5+0.86603*j/), (/2, 2/) ) 394 Irr(5)%mat(:,:,32) = RESHAPE( (/0.5-0.86603*j, 0*j, 0*j, 0.5+0.86603*j/), (/2, 2/) ) 395 Irr(5)%mat(:,:,33) = RESHAPE( (/0.5+0.86603*j, 0*j, 0*j, 0.5-0.86603*j/), (/2, 2/) ) 396 Irr(5)%mat(:,:,34) = RESHAPE( (/0.5+0.86603*j, 0*j, 0*j, 0.5-0.86603*j/), (/2, 2/) ) 397 Irr(5)%mat(:,:,35) = RESHAPE( (/0.5+0.86603*j, 0*j, 0*j, 0.5-0.86603*j/), (/2, 2/) ) 398 Irr(5)%mat(:,:,36) = RESHAPE( (/0.5+0.86603*j, 0*j, 0*j, 0.5-0.86603*j/), (/2, 2/) ) 399 Irr(5)%mat(:,:,37) = RESHAPE( (/0.0, -1.0, -1.0, 0.0/), (/2, 2/) ) 400 Irr(5)%mat(:,:,38) = RESHAPE( (/0.0, -1.0, -1.0, 0.0/), (/2, 2/) ) 401 Irr(5)%mat(:,:,39) = RESHAPE( (/0*j, 0.5-0.86603*j, 0.5+0.86603*j, 0*j/), (/2, 2/) ) 402 Irr(5)%mat(:,:,40) = RESHAPE( (/0*j, 0.5-0.86603*j, 0.5+0.86603*j, 0*j/), (/2, 2/) ) 403 Irr(5)%mat(:,:,41) = RESHAPE( (/0*j, 0.5+0.86603*j, 0.5-0.86603*j, 0*j/), (/2, 2/) ) 404 Irr(5)%mat(:,:,42) = RESHAPE( (/0*j, 0.5+0.86603*j, 0.5-0.86603*j, 0*j/), (/2, 2/) ) 405 Irr(5)%mat(:,:,43) = RESHAPE( (/0.0, -1.0, -1.0, 0.0/), (/2, 2/) ) 406 Irr(5)%mat(:,:,44) = RESHAPE( (/0.0, -1.0, -1.0, 0.0/), (/2, 2/) ) 407 Irr(5)%mat(:,:,45) = RESHAPE( (/0*j, 0.5-0.86603*j, 0.5+0.86603*j, 0*j/), (/2, 2/) ) 408 Irr(5)%mat(:,:,46) = RESHAPE( (/0*j, 0.5-0.86603*j, 0.5+0.86603*j, 0*j/), (/2, 2/) ) 409 Irr(5)%mat(:,:,47) = RESHAPE( (/0*j, 0.5+0.86603*j, 0.5-0.86603*j, 0*j/), (/2, 2/) ) 410 Irr(5)%mat(:,:,48) = RESHAPE( (/0*j, 0.5+0.86603*j, 0.5-0.86603*j, 0*j/), (/2, 2/) ) 411 412 Irr(6)%name = "Eg" 413 Irr(6)%dim = 2 414 Irr(6)%nsym = 48 415 ABI_MALLOC(Irr(6)%mat, (2,2,48)) 416 Irr(6)%mat(:,:,1) = RESHAPE( (/1.0, 0.0, 0.0, 1.0/), (/2, 2/) ) 417 Irr(6)%mat(:,:,2) = RESHAPE( (/1.0, 0.0, 0.0, 1.0/), (/2, 2/) ) 418 Irr(6)%mat(:,:,3) = RESHAPE( (/1.0, 0.0, 0.0, 1.0/), (/2, 2/) ) 419 Irr(6)%mat(:,:,4) = RESHAPE( (/1.0, 0.0, 0.0, 1.0/), (/2, 2/) ) 420 Irr(6)%mat(:,:,5) = RESHAPE( (/-0.5+0.86603*j, 0*j, 0*j, -0.5-0.86603*j/), (/2, 2/) ) 421 Irr(6)%mat(:,:,6) = RESHAPE( (/-0.5+0.86603*j, 0*j, 0*j, -0.5-0.86603*j/), (/2, 2/) ) 422 Irr(6)%mat(:,:,7) = RESHAPE( (/-0.5+0.86603*j, 0*j, 0*j, -0.5-0.86603*j/), (/2, 2/) ) 423 Irr(6)%mat(:,:,8) = RESHAPE( (/-0.5+0.86603*j, 0*j, 0*j, -0.5-0.86603*j/), (/2, 2/) ) 424 Irr(6)%mat(:,:,9) = RESHAPE( (/-0.5-0.86603*j, 0*j, 0*j, -0.5+0.86603*j/), (/2, 2/) ) 425 Irr(6)%mat(:,:,10) = RESHAPE( (/-0.5-0.86603*j, 0*j, 0*j, -0.5+0.86603*j/), (/2, 2/) ) 426 Irr(6)%mat(:,:,11) = RESHAPE( (/-0.5-0.86603*j, 0*j, 0*j, -0.5+0.86603*j/), (/2, 2/) ) 427 Irr(6)%mat(:,:,12) = RESHAPE( (/-0.5-0.86603*j, 0*j, 0*j, -0.5+0.86603*j/), (/2, 2/) ) 428 Irr(6)%mat(:,:,13) = RESHAPE( (/0.0, 1.0, 1.0, 0.0/), (/2, 2/) ) 429 Irr(6)%mat(:,:,14) = RESHAPE( (/0.0, 1.0, 1.0, 0.0/), (/2, 2/) ) 430 Irr(6)%mat(:,:,15) = RESHAPE( (/0*j, -0.5+0.86603*j, -0.5-0.86603*j, 0*j/), (/2, 2/) ) 431 Irr(6)%mat(:,:,16) = RESHAPE( (/0*j, -0.5+0.86603*j, -0.5-0.86603*j, 0*j/), (/2, 2/) ) 432 Irr(6)%mat(:,:,17) = RESHAPE( (/0*j, -0.5-0.86603*j, -0.5+0.86603*j, 0*j/), (/2, 2/) ) 433 Irr(6)%mat(:,:,18) = RESHAPE( (/0*j, -0.5-0.86603*j, -0.5+0.86603*j, 0*j/), (/2, 2/) ) 434 Irr(6)%mat(:,:,19) = RESHAPE( (/0.0, 1.0, 1.0, 0.0/), (/2, 2/) ) 435 Irr(6)%mat(:,:,20) = RESHAPE( (/0.0, 1.0, 1.0, 0.0/), (/2, 2/) ) 436 Irr(6)%mat(:,:,21) = RESHAPE( (/0*j, -0.5+0.86603*j, -0.5-0.86603*j, 0*j/), (/2, 2/) ) 437 Irr(6)%mat(:,:,22) = RESHAPE( (/0*j, -0.5+0.86603*j, -0.5-0.86603*j, 0*j/), (/2, 2/) ) 438 Irr(6)%mat(:,:,23) = RESHAPE( (/0*j, -0.5-0.86603*j, -0.5+0.86603*j, 0*j/), (/2, 2/) ) 439 Irr(6)%mat(:,:,24) = RESHAPE( (/0*j, -0.5-0.86603*j, -0.5+0.86603*j, 0*j/), (/2, 2/) ) 440 Irr(6)%mat(:,:,25) = RESHAPE( (/1.0, 0.0, 0.0, 1.0/), (/2, 2/) ) 441 Irr(6)%mat(:,:,26) = RESHAPE( (/1.0, 0.0, 0.0, 1.0/), (/2, 2/) ) 442 Irr(6)%mat(:,:,27) = RESHAPE( (/1.0, 0.0, 0.0, 1.0/), (/2, 2/) ) 443 Irr(6)%mat(:,:,28) = RESHAPE( (/1.0, 0.0, 0.0, 1.0/), (/2, 2/) ) 444 Irr(6)%mat(:,:,29) = RESHAPE( (/-0.5+0.86603*j, 0*j, 0*j, -0.5-0.86603*j/), (/2, 2/) ) 445 Irr(6)%mat(:,:,30) = RESHAPE( (/-0.5+0.86603*j, 0*j, 0*j, -0.5-0.86603*j/), (/2, 2/) ) 446 Irr(6)%mat(:,:,31) = RESHAPE( (/-0.5+0.86603*j, 0*j, 0*j, -0.5-0.86603*j/), (/2, 2/) ) 447 Irr(6)%mat(:,:,32) = RESHAPE( (/-0.5+0.86603*j, 0*j, 0*j, -0.5-0.86603*j/), (/2, 2/) ) 448 Irr(6)%mat(:,:,33) = RESHAPE( (/-0.5-0.86603*j, 0*j, 0*j, -0.5+0.86603*j/), (/2, 2/) ) 449 Irr(6)%mat(:,:,34) = RESHAPE( (/-0.5-0.86603*j, 0*j, 0*j, -0.5+0.86603*j/), (/2, 2/) ) 450 Irr(6)%mat(:,:,35) = RESHAPE( (/-0.5-0.86603*j, 0*j, 0*j, -0.5+0.86603*j/), (/2, 2/) ) 451 Irr(6)%mat(:,:,36) = RESHAPE( (/-0.5-0.86603*j, 0*j, 0*j, -0.5+0.86603*j/), (/2, 2/) ) 452 Irr(6)%mat(:,:,37) = RESHAPE( (/0.0, 1.0, 1.0, 0.0/), (/2, 2/) ) 453 Irr(6)%mat(:,:,38) = RESHAPE( (/0.0, 1.0, 1.0, 0.0/), (/2, 2/) ) 454 Irr(6)%mat(:,:,39) = RESHAPE( (/0*j, -0.5+0.86603*j, -0.5-0.86603*j, 0*j/), (/2, 2/) ) 455 Irr(6)%mat(:,:,40) = RESHAPE( (/0*j, -0.5+0.86603*j, -0.5-0.86603*j, 0*j/), (/2, 2/) ) 456 Irr(6)%mat(:,:,41) = RESHAPE( (/0*j, -0.5-0.86603*j, -0.5+0.86603*j, 0*j/), (/2, 2/) ) 457 Irr(6)%mat(:,:,42) = RESHAPE( (/0*j, -0.5-0.86603*j, -0.5+0.86603*j, 0*j/), (/2, 2/) ) 458 Irr(6)%mat(:,:,43) = RESHAPE( (/0.0, 1.0, 1.0, 0.0/), (/2, 2/) ) 459 Irr(6)%mat(:,:,44) = RESHAPE( (/0.0, 1.0, 1.0, 0.0/), (/2, 2/) ) 460 Irr(6)%mat(:,:,45) = RESHAPE( (/0*j, -0.5+0.86603*j, -0.5-0.86603*j, 0*j/), (/2, 2/) ) 461 Irr(6)%mat(:,:,46) = RESHAPE( (/0*j, -0.5+0.86603*j, -0.5-0.86603*j, 0*j/), (/2, 2/) ) 462 Irr(6)%mat(:,:,47) = RESHAPE( (/0*j, -0.5-0.86603*j, -0.5+0.86603*j, 0*j/), (/2, 2/) ) 463 Irr(6)%mat(:,:,48) = RESHAPE( (/0*j, -0.5-0.86603*j, -0.5+0.86603*j, 0*j/), (/2, 2/) ) 464 465 Irr(7)%name = "T2u" 466 Irr(7)%dim = 3 467 Irr(7)%nsym = 48 468 ABI_MALLOC(Irr(7)%mat, (3,3,48)) 469 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/) ) 470 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/) ) 471 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/) ) 472 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/) ) 473 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/) ) 474 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/) ) 475 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/) ) 476 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/) ) 477 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/) ) 478 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/) ) 479 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/) ) 480 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/) ) 481 Irr(7)%mat(:,:,13) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, 0.0, -1.0, 0.0, -1.0, 0.0/), (/3, 3/) ) 482 Irr(7)%mat(:,:,14) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 1.0, 0.0/), (/3, 3/) ) 483 Irr(7)%mat(:,:,15) = RESHAPE( (/0.0, 0.0, -1.0, 0.0, 1.0, 0.0, -1.0, 0.0, 0.0/), (/3, 3/) ) 484 Irr(7)%mat(:,:,16) = RESHAPE( (/0.0, 0.0, 1.0, 0.0, 1.0, 0.0, 1.0, 0.0, 0.0/), (/3, 3/) ) 485 Irr(7)%mat(:,:,17) = RESHAPE( (/0.0, -1.0, 0.0, -1.0, 0.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) ) 486 Irr(7)%mat(:,:,18) = RESHAPE( (/0.0, 1.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) ) 487 Irr(7)%mat(:,:,19) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, 0.0, -1.0, 0.0, 1.0, 0.0/), (/3, 3/) ) 488 Irr(7)%mat(:,:,20) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, -1.0, 0.0/), (/3, 3/) ) 489 Irr(7)%mat(:,:,21) = RESHAPE( (/0.0, 0.0, -1.0, 0.0, -1.0, 0.0, 1.0, 0.0, 0.0/), (/3, 3/) ) 490 Irr(7)%mat(:,:,22) = RESHAPE( (/0.0, 0.0, 1.0, 0.0, -1.0, 0.0, -1.0, 0.0, 0.0/), (/3, 3/) ) 491 Irr(7)%mat(:,:,23) = RESHAPE( (/0.0, -1.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) ) 492 Irr(7)%mat(:,:,24) = RESHAPE( (/0.0, 1.0, 0.0, -1.0, 0.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) ) 493 Irr(7)%mat(:,:,25) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, -1.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) ) 494 Irr(7)%mat(:,:,26) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) ) 495 Irr(7)%mat(:,:,27) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, -1.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) ) 496 Irr(7)%mat(:,:,28) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) ) 497 Irr(7)%mat(:,:,29) = RESHAPE( (/0.0, -1.0, 0.0, 0.0, 0.0, -1.0, -1.0, 0.0, 0.0/), (/3, 3/) ) 498 Irr(7)%mat(:,:,30) = RESHAPE( (/0.0, -1.0, 0.0, 0.0, 0.0, 1.0, 1.0, 0.0, 0.0/), (/3, 3/) ) 499 Irr(7)%mat(:,:,31) = RESHAPE( (/0.0, 1.0, 0.0, 0.0, 0.0, -1.0, 1.0, 0.0, 0.0/), (/3, 3/) ) 500 Irr(7)%mat(:,:,32) = RESHAPE( (/0.0, 1.0, 0.0, 0.0, 0.0, 1.0, -1.0, 0.0, 0.0/), (/3, 3/) ) 501 Irr(7)%mat(:,:,33) = RESHAPE( (/0.0, 0.0, -1.0, -1.0, 0.0, 0.0, 0.0, -1.0, 0.0/), (/3, 3/) ) 502 Irr(7)%mat(:,:,34) = RESHAPE( (/0.0, 0.0, -1.0, 1.0, 0.0, 0.0, 0.0, 1.0, 0.0/), (/3, 3/) ) 503 Irr(7)%mat(:,:,35) = RESHAPE( (/0.0, 0.0, 1.0, -1.0, 0.0, 0.0, 0.0, 1.0, 0.0/), (/3, 3/) ) 504 Irr(7)%mat(:,:,36) = RESHAPE( (/0.0, 0.0, 1.0, 1.0, 0.0, 0.0, 0.0, -1.0, 0.0/), (/3, 3/) ) 505 Irr(7)%mat(:,:,37) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 1.0, 0.0/), (/3, 3/) ) 506 Irr(7)%mat(:,:,38) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, 0.0, -1.0, 0.0, -1.0, 0.0/), (/3, 3/) ) 507 Irr(7)%mat(:,:,39) = RESHAPE( (/0.0, 0.0, 1.0, 0.0, -1.0, 0.0, 1.0, 0.0, 0.0/), (/3, 3/) ) 508 Irr(7)%mat(:,:,40) = RESHAPE( (/0.0, 0.0, -1.0, 0.0, -1.0, 0.0, -1.0, 0.0, 0.0/), (/3, 3/) ) 509 Irr(7)%mat(:,:,41) = RESHAPE( (/0.0, 1.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) ) 510 Irr(7)%mat(:,:,42) = RESHAPE( (/0.0, -1.0, 0.0, -1.0, 0.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) ) 511 Irr(7)%mat(:,:,43) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, -1.0, 0.0/), (/3, 3/) ) 512 Irr(7)%mat(:,:,44) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, 0.0, -1.0, 0.0, 1.0, 0.0/), (/3, 3/) ) 513 Irr(7)%mat(:,:,45) = RESHAPE( (/0.0, 0.0, 1.0, 0.0, 1.0, 0.0, -1.0, 0.0, 0.0/), (/3, 3/) ) 514 Irr(7)%mat(:,:,46) = RESHAPE( (/0.0, 0.0, -1.0, 0.0, 1.0, 0.0, 1.0, 0.0, 0.0/), (/3, 3/) ) 515 Irr(7)%mat(:,:,47) = RESHAPE( (/0.0, 1.0, 0.0, -1.0, 0.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) ) 516 Irr(7)%mat(:,:,48) = RESHAPE( (/0.0, -1.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) ) 517 518 Irr(8)%name = "T2g" 519 Irr(8)%dim = 3 520 Irr(8)%nsym = 48 521 ABI_MALLOC(Irr(8)%mat, (3,3,48)) 522 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/) ) 523 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/) ) 524 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/) ) 525 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/) ) 526 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/) ) 527 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/) ) 528 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/) ) 529 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/) ) 530 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/) ) 531 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/) ) 532 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/) ) 533 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/) ) 534 Irr(8)%mat(:,:,13) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, 0.0, -1.0, 0.0, -1.0, 0.0/), (/3, 3/) ) 535 Irr(8)%mat(:,:,14) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 1.0, 0.0/), (/3, 3/) ) 536 Irr(8)%mat(:,:,15) = RESHAPE( (/0.0, 0.0, -1.0, 0.0, 1.0, 0.0, -1.0, 0.0, 0.0/), (/3, 3/) ) 537 Irr(8)%mat(:,:,16) = RESHAPE( (/0.0, 0.0, 1.0, 0.0, 1.0, 0.0, 1.0, 0.0, 0.0/), (/3, 3/) ) 538 Irr(8)%mat(:,:,17) = RESHAPE( (/0.0, -1.0, 0.0, -1.0, 0.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) ) 539 Irr(8)%mat(:,:,18) = RESHAPE( (/0.0, 1.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) ) 540 Irr(8)%mat(:,:,19) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, 0.0, -1.0, 0.0, 1.0, 0.0/), (/3, 3/) ) 541 Irr(8)%mat(:,:,20) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, -1.0, 0.0/), (/3, 3/) ) 542 Irr(8)%mat(:,:,21) = RESHAPE( (/0.0, 0.0, -1.0, 0.0, -1.0, 0.0, 1.0, 0.0, 0.0/), (/3, 3/) ) 543 Irr(8)%mat(:,:,22) = RESHAPE( (/0.0, 0.0, 1.0, 0.0, -1.0, 0.0, -1.0, 0.0, 0.0/), (/3, 3/) ) 544 Irr(8)%mat(:,:,23) = RESHAPE( (/0.0, -1.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) ) 545 Irr(8)%mat(:,:,24) = RESHAPE( (/0.0, 1.0, 0.0, -1.0, 0.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) ) 546 Irr(8)%mat(:,:,25) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) ) 547 Irr(8)%mat(:,:,26) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, -1.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) ) 548 Irr(8)%mat(:,:,27) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) ) 549 Irr(8)%mat(:,:,28) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, -1.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) ) 550 Irr(8)%mat(:,:,29) = RESHAPE( (/0.0, 1.0, 0.0, 0.0, 0.0, 1.0, 1.0, 0.0, 0.0/), (/3, 3/) ) 551 Irr(8)%mat(:,:,30) = RESHAPE( (/0.0, 1.0, 0.0, 0.0, 0.0, -1.0, -1.0, 0.0, 0.0/), (/3, 3/) ) 552 Irr(8)%mat(:,:,31) = RESHAPE( (/0.0, -1.0, 0.0, 0.0, 0.0, 1.0, -1.0, 0.0, 0.0/), (/3, 3/) ) 553 Irr(8)%mat(:,:,32) = RESHAPE( (/0.0, -1.0, 0.0, 0.0, 0.0, -1.0, 1.0, 0.0, 0.0/), (/3, 3/) ) 554 Irr(8)%mat(:,:,33) = RESHAPE( (/0.0, 0.0, 1.0, 1.0, 0.0, 0.0, 0.0, 1.0, 0.0/), (/3, 3/) ) 555 Irr(8)%mat(:,:,34) = RESHAPE( (/0.0, 0.0, 1.0, -1.0, 0.0, 0.0, 0.0, -1.0, 0.0/), (/3, 3/) ) 556 Irr(8)%mat(:,:,35) = RESHAPE( (/0.0, 0.0, -1.0, 1.0, 0.0, 0.0, 0.0, -1.0, 0.0/), (/3, 3/) ) 557 Irr(8)%mat(:,:,36) = RESHAPE( (/0.0, 0.0, -1.0, -1.0, 0.0, 0.0, 0.0, 1.0, 0.0/), (/3, 3/) ) 558 Irr(8)%mat(:,:,37) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, 0.0, -1.0, 0.0, -1.0, 0.0/), (/3, 3/) ) 559 Irr(8)%mat(:,:,38) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 1.0, 0.0/), (/3, 3/) ) 560 Irr(8)%mat(:,:,39) = RESHAPE( (/0.0, 0.0, -1.0, 0.0, 1.0, 0.0, -1.0, 0.0, 0.0/), (/3, 3/) ) 561 Irr(8)%mat(:,:,40) = RESHAPE( (/0.0, 0.0, 1.0, 0.0, 1.0, 0.0, 1.0, 0.0, 0.0/), (/3, 3/) ) 562 Irr(8)%mat(:,:,41) = RESHAPE( (/0.0, -1.0, 0.0, -1.0, 0.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) ) 563 Irr(8)%mat(:,:,42) = RESHAPE( (/0.0, 1.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) ) 564 Irr(8)%mat(:,:,43) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, 0.0, -1.0, 0.0, 1.0, 0.0/), (/3, 3/) ) 565 Irr(8)%mat(:,:,44) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, -1.0, 0.0/), (/3, 3/) ) 566 Irr(8)%mat(:,:,45) = RESHAPE( (/0.0, 0.0, -1.0, 0.0, -1.0, 0.0, 1.0, 0.0, 0.0/), (/3, 3/) ) 567 Irr(8)%mat(:,:,46) = RESHAPE( (/0.0, 0.0, 1.0, 0.0, -1.0, 0.0, -1.0, 0.0, 0.0/), (/3, 3/) ) 568 Irr(8)%mat(:,:,47) = RESHAPE( (/0.0, -1.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) ) 569 Irr(8)%mat(:,:,48) = RESHAPE( (/0.0, 1.0, 0.0, -1.0, 0.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) ) 570 571 Irr(9)%name = "T1u" 572 Irr(9)%dim = 3 573 Irr(9)%nsym = 48 574 ABI_MALLOC(Irr(9)%mat, (3,3,48)) 575 Irr(9)%mat(:,:,1) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) ) 576 Irr(9)%mat(:,:,2) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, -1.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) ) 577 Irr(9)%mat(:,:,3) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) ) 578 Irr(9)%mat(:,:,4) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, -1.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) ) 579 Irr(9)%mat(:,:,5) = RESHAPE( (/0.0, 1.0, 0.0, 0.0, 0.0, 1.0, 1.0, 0.0, 0.0/), (/3, 3/) ) 580 Irr(9)%mat(:,:,6) = RESHAPE( (/0.0, 1.0, 0.0, 0.0, 0.0, -1.0, -1.0, 0.0, 0.0/), (/3, 3/) ) 581 Irr(9)%mat(:,:,7) = RESHAPE( (/0.0, -1.0, 0.0, 0.0, 0.0, 1.0, -1.0, 0.0, 0.0/), (/3, 3/) ) 582 Irr(9)%mat(:,:,8) = RESHAPE( (/0.0, -1.0, 0.0, 0.0, 0.0, -1.0, 1.0, 0.0, 0.0/), (/3, 3/) ) 583 Irr(9)%mat(:,:,9) = RESHAPE( (/0.0, 0.0, 1.0, 1.0, 0.0, 0.0, 0.0, 1.0, 0.0/), (/3, 3/) ) 584 Irr(9)%mat(:,:,10) = RESHAPE( (/0.0, 0.0, 1.0, -1.0, 0.0, 0.0, 0.0, -1.0, 0.0/), (/3, 3/) ) 585 Irr(9)%mat(:,:,11) = RESHAPE( (/0.0, 0.0, -1.0, 1.0, 0.0, 0.0, 0.0, -1.0, 0.0/), (/3, 3/) ) 586 Irr(9)%mat(:,:,12) = RESHAPE( (/0.0, 0.0, -1.0, -1.0, 0.0, 0.0, 0.0, 1.0, 0.0/), (/3, 3/) ) 587 Irr(9)%mat(:,:,13) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 1.0, 0.0/), (/3, 3/) ) 588 Irr(9)%mat(:,:,14) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, 0.0, -1.0, 0.0, -1.0, 0.0/), (/3, 3/) ) 589 Irr(9)%mat(:,:,15) = RESHAPE( (/0.0, 0.0, 1.0, 0.0, -1.0, 0.0, 1.0, 0.0, 0.0/), (/3, 3/) ) 590 Irr(9)%mat(:,:,16) = RESHAPE( (/0.0, 0.0, -1.0, 0.0, -1.0, 0.0, -1.0, 0.0, 0.0/), (/3, 3/) ) 591 Irr(9)%mat(:,:,17) = RESHAPE( (/0.0, 1.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) ) 592 Irr(9)%mat(:,:,18) = RESHAPE( (/0.0, -1.0, 0.0, -1.0, 0.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) ) 593 Irr(9)%mat(:,:,19) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, -1.0, 0.0/), (/3, 3/) ) 594 Irr(9)%mat(:,:,20) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, 0.0, -1.0, 0.0, 1.0, 0.0/), (/3, 3/) ) 595 Irr(9)%mat(:,:,21) = RESHAPE( (/0.0, 0.0, 1.0, 0.0, 1.0, 0.0, -1.0, 0.0, 0.0/), (/3, 3/) ) 596 Irr(9)%mat(:,:,22) = RESHAPE( (/0.0, 0.0, -1.0, 0.0, 1.0, 0.0, 1.0, 0.0, 0.0/), (/3, 3/) ) 597 Irr(9)%mat(:,:,23) = RESHAPE( (/0.0, 1.0, 0.0, -1.0, 0.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) ) 598 Irr(9)%mat(:,:,24) = RESHAPE( (/0.0, -1.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) ) 599 Irr(9)%mat(:,:,25) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, -1.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) ) 600 Irr(9)%mat(:,:,26) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) ) 601 Irr(9)%mat(:,:,27) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, -1.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) ) 602 Irr(9)%mat(:,:,28) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) ) 603 Irr(9)%mat(:,:,29) = RESHAPE( (/0.0, -1.0, 0.0, 0.0, 0.0, -1.0, -1.0, 0.0, 0.0/), (/3, 3/) ) 604 Irr(9)%mat(:,:,30) = RESHAPE( (/0.0, -1.0, 0.0, 0.0, 0.0, 1.0, 1.0, 0.0, 0.0/), (/3, 3/) ) 605 Irr(9)%mat(:,:,31) = RESHAPE( (/0.0, 1.0, 0.0, 0.0, 0.0, -1.0, 1.0, 0.0, 0.0/), (/3, 3/) ) 606 Irr(9)%mat(:,:,32) = RESHAPE( (/0.0, 1.0, 0.0, 0.0, 0.0, 1.0, -1.0, 0.0, 0.0/), (/3, 3/) ) 607 Irr(9)%mat(:,:,33) = RESHAPE( (/0.0, 0.0, -1.0, -1.0, 0.0, 0.0, 0.0, -1.0, 0.0/), (/3, 3/) ) 608 Irr(9)%mat(:,:,34) = RESHAPE( (/0.0, 0.0, -1.0, 1.0, 0.0, 0.0, 0.0, 1.0, 0.0/), (/3, 3/) ) 609 Irr(9)%mat(:,:,35) = RESHAPE( (/0.0, 0.0, 1.0, -1.0, 0.0, 0.0, 0.0, 1.0, 0.0/), (/3, 3/) ) 610 Irr(9)%mat(:,:,36) = RESHAPE( (/0.0, 0.0, 1.0, 1.0, 0.0, 0.0, 0.0, -1.0, 0.0/), (/3, 3/) ) 611 Irr(9)%mat(:,:,37) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, 0.0, -1.0, 0.0, -1.0, 0.0/), (/3, 3/) ) 612 Irr(9)%mat(:,:,38) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 1.0, 0.0/), (/3, 3/) ) 613 Irr(9)%mat(:,:,39) = RESHAPE( (/0.0, 0.0, -1.0, 0.0, 1.0, 0.0, -1.0, 0.0, 0.0/), (/3, 3/) ) 614 Irr(9)%mat(:,:,40) = RESHAPE( (/0.0, 0.0, 1.0, 0.0, 1.0, 0.0, 1.0, 0.0, 0.0/), (/3, 3/) ) 615 Irr(9)%mat(:,:,41) = RESHAPE( (/0.0, -1.0, 0.0, -1.0, 0.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) ) 616 Irr(9)%mat(:,:,42) = RESHAPE( (/0.0, 1.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) ) 617 Irr(9)%mat(:,:,43) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, 0.0, -1.0, 0.0, 1.0, 0.0/), (/3, 3/) ) 618 Irr(9)%mat(:,:,44) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, -1.0, 0.0/), (/3, 3/) ) 619 Irr(9)%mat(:,:,45) = RESHAPE( (/0.0, 0.0, -1.0, 0.0, -1.0, 0.0, 1.0, 0.0, 0.0/), (/3, 3/) ) 620 Irr(9)%mat(:,:,46) = RESHAPE( (/0.0, 0.0, 1.0, 0.0, -1.0, 0.0, -1.0, 0.0, 0.0/), (/3, 3/) ) 621 Irr(9)%mat(:,:,47) = RESHAPE( (/0.0, -1.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) ) 622 Irr(9)%mat(:,:,48) = RESHAPE( (/0.0, 1.0, 0.0, -1.0, 0.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) ) 623 624 Irr(10)%name = "T1g" 625 Irr(10)%dim = 3 626 Irr(10)%nsym = 48 627 ABI_MALLOC(Irr(10)%mat, (3,3,48)) 628 Irr(10)%mat(:,:,1) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) ) 629 Irr(10)%mat(:,:,2) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, -1.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) ) 630 Irr(10)%mat(:,:,3) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) ) 631 Irr(10)%mat(:,:,4) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, -1.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) ) 632 Irr(10)%mat(:,:,5) = RESHAPE( (/0.0, 1.0, 0.0, 0.0, 0.0, 1.0, 1.0, 0.0, 0.0/), (/3, 3/) ) 633 Irr(10)%mat(:,:,6) = RESHAPE( (/0.0, 1.0, 0.0, 0.0, 0.0, -1.0, -1.0, 0.0, 0.0/), (/3, 3/) ) 634 Irr(10)%mat(:,:,7) = RESHAPE( (/0.0, -1.0, 0.0, 0.0, 0.0, 1.0, -1.0, 0.0, 0.0/), (/3, 3/) ) 635 Irr(10)%mat(:,:,8) = RESHAPE( (/0.0, -1.0, 0.0, 0.0, 0.0, -1.0, 1.0, 0.0, 0.0/), (/3, 3/) ) 636 Irr(10)%mat(:,:,9) = RESHAPE( (/0.0, 0.0, 1.0, 1.0, 0.0, 0.0, 0.0, 1.0, 0.0/), (/3, 3/) ) 637 Irr(10)%mat(:,:,10) = RESHAPE( (/0.0, 0.0, 1.0, -1.0, 0.0, 0.0, 0.0, -1.0, 0.0/), (/3, 3/) ) 638 Irr(10)%mat(:,:,11) = RESHAPE( (/0.0, 0.0, -1.0, 1.0, 0.0, 0.0, 0.0, -1.0, 0.0/), (/3, 3/) ) 639 Irr(10)%mat(:,:,12) = RESHAPE( (/0.0, 0.0, -1.0, -1.0, 0.0, 0.0, 0.0, 1.0, 0.0/), (/3, 3/) ) 640 Irr(10)%mat(:,:,13) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 1.0, 0.0/), (/3, 3/) ) 641 Irr(10)%mat(:,:,14) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, 0.0, -1.0, 0.0, -1.0, 0.0/), (/3, 3/) ) 642 Irr(10)%mat(:,:,15) = RESHAPE( (/0.0, 0.0, 1.0, 0.0, -1.0, 0.0, 1.0, 0.0, 0.0/), (/3, 3/) ) 643 Irr(10)%mat(:,:,16) = RESHAPE( (/0.0, 0.0, -1.0, 0.0, -1.0, 0.0, -1.0, 0.0, 0.0/), (/3, 3/) ) 644 Irr(10)%mat(:,:,17) = RESHAPE( (/0.0, 1.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) ) 645 Irr(10)%mat(:,:,18) = RESHAPE( (/0.0, -1.0, 0.0, -1.0, 0.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) ) 646 Irr(10)%mat(:,:,19) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, -1.0, 0.0/), (/3, 3/) ) 647 Irr(10)%mat(:,:,20) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, 0.0, -1.0, 0.0, 1.0, 0.0/), (/3, 3/) ) 648 Irr(10)%mat(:,:,21) = RESHAPE( (/0.0, 0.0, 1.0, 0.0, 1.0, 0.0, -1.0, 0.0, 0.0/), (/3, 3/) ) 649 Irr(10)%mat(:,:,22) = RESHAPE( (/0.0, 0.0, -1.0, 0.0, 1.0, 0.0, 1.0, 0.0, 0.0/), (/3, 3/) ) 650 Irr(10)%mat(:,:,23) = RESHAPE( (/0.0, 1.0, 0.0, -1.0, 0.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) ) 651 Irr(10)%mat(:,:,24) = RESHAPE( (/0.0, -1.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) ) 652 Irr(10)%mat(:,:,25) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) ) 653 Irr(10)%mat(:,:,26) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, -1.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) ) 654 Irr(10)%mat(:,:,27) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) ) 655 Irr(10)%mat(:,:,28) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, -1.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) ) 656 Irr(10)%mat(:,:,29) = RESHAPE( (/0.0, 1.0, 0.0, 0.0, 0.0, 1.0, 1.0, 0.0, 0.0/), (/3, 3/) ) 657 Irr(10)%mat(:,:,30) = RESHAPE( (/0.0, 1.0, 0.0, 0.0, 0.0, -1.0, -1.0, 0.0, 0.0/), (/3, 3/) ) 658 Irr(10)%mat(:,:,31) = RESHAPE( (/0.0, -1.0, 0.0, 0.0, 0.0, 1.0, -1.0, 0.0, 0.0/), (/3, 3/) ) 659 Irr(10)%mat(:,:,32) = RESHAPE( (/0.0, -1.0, 0.0, 0.0, 0.0, -1.0, 1.0, 0.0, 0.0/), (/3, 3/) ) 660 Irr(10)%mat(:,:,33) = RESHAPE( (/0.0, 0.0, 1.0, 1.0, 0.0, 0.0, 0.0, 1.0, 0.0/), (/3, 3/) ) 661 Irr(10)%mat(:,:,34) = RESHAPE( (/0.0, 0.0, 1.0, -1.0, 0.0, 0.0, 0.0, -1.0, 0.0/), (/3, 3/) ) 662 Irr(10)%mat(:,:,35) = RESHAPE( (/0.0, 0.0, -1.0, 1.0, 0.0, 0.0, 0.0, -1.0, 0.0/), (/3, 3/) ) 663 Irr(10)%mat(:,:,36) = RESHAPE( (/0.0, 0.0, -1.0, -1.0, 0.0, 0.0, 0.0, 1.0, 0.0/), (/3, 3/) ) 664 Irr(10)%mat(:,:,37) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 1.0, 0.0/), (/3, 3/) ) 665 Irr(10)%mat(:,:,38) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, 0.0, -1.0, 0.0, -1.0, 0.0/), (/3, 3/) ) 666 Irr(10)%mat(:,:,39) = RESHAPE( (/0.0, 0.0, 1.0, 0.0, -1.0, 0.0, 1.0, 0.0, 0.0/), (/3, 3/) ) 667 Irr(10)%mat(:,:,40) = RESHAPE( (/0.0, 0.0, -1.0, 0.0, -1.0, 0.0, -1.0, 0.0, 0.0/), (/3, 3/) ) 668 Irr(10)%mat(:,:,41) = RESHAPE( (/0.0, 1.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) ) 669 Irr(10)%mat(:,:,42) = RESHAPE( (/0.0, -1.0, 0.0, -1.0, 0.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) ) 670 Irr(10)%mat(:,:,43) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, -1.0, 0.0/), (/3, 3/) ) 671 Irr(10)%mat(:,:,44) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, 0.0, -1.0, 0.0, 1.0, 0.0/), (/3, 3/) ) 672 Irr(10)%mat(:,:,45) = RESHAPE( (/0.0, 0.0, 1.0, 0.0, 1.0, 0.0, -1.0, 0.0, 0.0/), (/3, 3/) ) 673 Irr(10)%mat(:,:,46) = RESHAPE( (/0.0, 0.0, -1.0, 0.0, 1.0, 0.0, 1.0, 0.0, 0.0/), (/3, 3/) ) 674 Irr(10)%mat(:,:,47) = RESHAPE( (/0.0, 1.0, 0.0, -1.0, 0.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) ) 675 Irr(10)%mat(:,:,48) = RESHAPE( (/0.0, -1.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) ) 676 677 RETURN 678 if (.FALSE.) write(std_out,*) j 679 end subroutine ptg_Oh