TABLE OF CONTENTS
ABINIT/ptg_D4h [ Functions ]
NAME
ptg_D4h
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 D4h (4/mmm) 27 28 #if defined HAVE_CONFIG_H 29 #include "config.h" 30 #endif 31 32 #include "abi_common.h" 33 34 module m_ptg_D4h 35 36 #ifdef FC_INTEL 37 !DEC$ NOOPTIMIZE 38 #endif 39 40 contains 41 !!** 42 43 subroutine ptg_D4h (nsym,nclass,sym,class_ids,class_names,Irr) 44 use defs_basis 45 use m_abicore 46 use m_defs_ptgroups, only : irrep_t 47 implicit none 48 !Arguments ------------------------------------ 49 integer,intent(out) :: nclass,nsym 50 !arrays 51 integer,allocatable,intent(out) :: sym(:,:,:), class_ids(:,:) 52 character(len=5),allocatable,intent(out) :: class_names(:) 53 type(irrep_t),allocatable,intent(out) :: Irr(:) 54 !Local variables------------------------------- 55 complex(dpc) :: j=(0.0_dp,1.0_dp) 56 ! ******************************************************************************** 57 ! List of symmetries packed in classes 58 nsym = 16 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( (/0, 1, 0, -1, 0, 0, 0, 0, 1/) ,(/3,3/) ) 63 sym(:,:,4) = RESHAPE( (/0, -1, 0, 1, 0, 0, 0, 0, 1/) ,(/3,3/) ) 64 sym(:,:,5) = RESHAPE( (/-1, 0, 0, 0, 1, 0, 0, 0, -1/) ,(/3,3/) ) 65 sym(:,:,6) = RESHAPE( (/1, 0, 0, 0, -1, 0, 0, 0, -1/) ,(/3,3/) ) 66 sym(:,:,7) = RESHAPE( (/0, 1, 0, 1, 0, 0, 0, 0, -1/) ,(/3,3/) ) 67 sym(:,:,8) = RESHAPE( (/0, -1, 0, -1, 0, 0, 0, 0, -1/) ,(/3,3/) ) 68 sym(:,:,9) = RESHAPE( (/-1, 0, 0, 0, -1, 0, 0, 0, -1/) ,(/3,3/) ) 69 sym(:,:,10) = RESHAPE( (/1, 0, 0, 0, 1, 0, 0, 0, -1/) ,(/3,3/) ) 70 sym(:,:,11) = RESHAPE( (/0, -1, 0, 1, 0, 0, 0, 0, -1/) ,(/3,3/) ) 71 sym(:,:,12) = RESHAPE( (/0, 1, 0, -1, 0, 0, 0, 0, -1/) ,(/3,3/) ) 72 sym(:,:,13) = RESHAPE( (/1, 0, 0, 0, -1, 0, 0, 0, 1/) ,(/3,3/) ) 73 sym(:,:,14) = RESHAPE( (/-1, 0, 0, 0, 1, 0, 0, 0, 1/) ,(/3,3/) ) 74 sym(:,:,15) = RESHAPE( (/0, -1, 0, -1, 0, 0, 0, 0, 1/) ,(/3,3/) ) 75 sym(:,:,16) = RESHAPE( (/0, 1, 0, 1, 0, 0, 0, 0, 1/) ,(/3,3/) ) 76 77 ! Number of classes and corresponding indices 78 nclass = 10 79 ABI_MALLOC(class_ids, (2,nclass)) 80 class_ids(1,1) = 1 81 class_ids(2,1) = 1 82 class_ids(1,2) = 2 83 class_ids(2,2) = 2 84 class_ids(1,3) = 3 85 class_ids(2,3) = 4 86 class_ids(1,4) = 5 87 class_ids(2,4) = 6 88 class_ids(1,5) = 7 89 class_ids(2,5) = 8 90 class_ids(1,6) = 9 91 class_ids(2,6) = 9 92 class_ids(1,7) = 10 93 class_ids(2,7) = 10 94 class_ids(1,8) = 11 95 class_ids(2,8) = 12 96 class_ids(1,9) = 13 97 class_ids(2,9) = 14 98 class_ids(1,10) = 15 99 class_ids(2,10) = 16 100 101 ABI_MALLOC(class_names,(10)) 102 class_names(1) = "1+" 103 class_names(2) = "2+" 104 class_names(3) = "4+" 105 class_names(4) = "2+" 106 class_names(5) = "2+" 107 class_names(6) = "-2-" 108 class_names(7) = "-2+" 109 class_names(8) = "-4+" 110 class_names(9) = "-2+" 111 class_names(10) = "-2+" 112 113 ! List of irreducible representations. 114 ABI_MALLOC(Irr, (10)) 115 Irr(1)%name = "A1g" 116 Irr(1)%dim = 1 117 Irr(1)%nsym = 16 118 ABI_MALLOC(Irr(1)%mat, (1,1,16)) 119 Irr(1)%mat(:,:,1) = RESHAPE( (/1.0/), (/1, 1/) ) 120 Irr(1)%mat(:,:,2) = RESHAPE( (/1.0/), (/1, 1/) ) 121 Irr(1)%mat(:,:,3) = RESHAPE( (/1.0/), (/1, 1/) ) 122 Irr(1)%mat(:,:,4) = RESHAPE( (/1.0/), (/1, 1/) ) 123 Irr(1)%mat(:,:,5) = RESHAPE( (/1.0/), (/1, 1/) ) 124 Irr(1)%mat(:,:,6) = RESHAPE( (/1.0/), (/1, 1/) ) 125 Irr(1)%mat(:,:,7) = RESHAPE( (/1.0/), (/1, 1/) ) 126 Irr(1)%mat(:,:,8) = RESHAPE( (/1.0/), (/1, 1/) ) 127 Irr(1)%mat(:,:,9) = RESHAPE( (/1.0/), (/1, 1/) ) 128 Irr(1)%mat(:,:,10) = RESHAPE( (/1.0/), (/1, 1/) ) 129 Irr(1)%mat(:,:,11) = RESHAPE( (/1.0/), (/1, 1/) ) 130 Irr(1)%mat(:,:,12) = RESHAPE( (/1.0/), (/1, 1/) ) 131 Irr(1)%mat(:,:,13) = RESHAPE( (/1.0/), (/1, 1/) ) 132 Irr(1)%mat(:,:,14) = RESHAPE( (/1.0/), (/1, 1/) ) 133 Irr(1)%mat(:,:,15) = RESHAPE( (/1.0/), (/1, 1/) ) 134 Irr(1)%mat(:,:,16) = RESHAPE( (/1.0/), (/1, 1/) ) 135 136 Irr(2)%name = "A1u" 137 Irr(2)%dim = 1 138 Irr(2)%nsym = 16 139 ABI_MALLOC(Irr(2)%mat, (1,1,16)) 140 Irr(2)%mat(:,:,1) = RESHAPE( (/1.0/), (/1, 1/) ) 141 Irr(2)%mat(:,:,2) = RESHAPE( (/1.0/), (/1, 1/) ) 142 Irr(2)%mat(:,:,3) = RESHAPE( (/1.0/), (/1, 1/) ) 143 Irr(2)%mat(:,:,4) = RESHAPE( (/1.0/), (/1, 1/) ) 144 Irr(2)%mat(:,:,5) = RESHAPE( (/1.0/), (/1, 1/) ) 145 Irr(2)%mat(:,:,6) = RESHAPE( (/1.0/), (/1, 1/) ) 146 Irr(2)%mat(:,:,7) = RESHAPE( (/1.0/), (/1, 1/) ) 147 Irr(2)%mat(:,:,8) = RESHAPE( (/1.0/), (/1, 1/) ) 148 Irr(2)%mat(:,:,9) = RESHAPE( (/-1.0/), (/1, 1/) ) 149 Irr(2)%mat(:,:,10) = RESHAPE( (/-1.0/), (/1, 1/) ) 150 Irr(2)%mat(:,:,11) = RESHAPE( (/-1.0/), (/1, 1/) ) 151 Irr(2)%mat(:,:,12) = RESHAPE( (/-1.0/), (/1, 1/) ) 152 Irr(2)%mat(:,:,13) = RESHAPE( (/-1.0/), (/1, 1/) ) 153 Irr(2)%mat(:,:,14) = RESHAPE( (/-1.0/), (/1, 1/) ) 154 Irr(2)%mat(:,:,15) = RESHAPE( (/-1.0/), (/1, 1/) ) 155 Irr(2)%mat(:,:,16) = RESHAPE( (/-1.0/), (/1, 1/) ) 156 157 Irr(3)%name = "A2g" 158 Irr(3)%dim = 1 159 Irr(3)%nsym = 16 160 ABI_MALLOC(Irr(3)%mat, (1,1,16)) 161 Irr(3)%mat(:,:,1) = RESHAPE( (/1.0/), (/1, 1/) ) 162 Irr(3)%mat(:,:,2) = RESHAPE( (/1.0/), (/1, 1/) ) 163 Irr(3)%mat(:,:,3) = RESHAPE( (/1.0/), (/1, 1/) ) 164 Irr(3)%mat(:,:,4) = RESHAPE( (/1.0/), (/1, 1/) ) 165 Irr(3)%mat(:,:,5) = RESHAPE( (/-1.0/), (/1, 1/) ) 166 Irr(3)%mat(:,:,6) = RESHAPE( (/-1.0/), (/1, 1/) ) 167 Irr(3)%mat(:,:,7) = RESHAPE( (/-1.0/), (/1, 1/) ) 168 Irr(3)%mat(:,:,8) = RESHAPE( (/-1.0/), (/1, 1/) ) 169 Irr(3)%mat(:,:,9) = RESHAPE( (/1.0/), (/1, 1/) ) 170 Irr(3)%mat(:,:,10) = RESHAPE( (/1.0/), (/1, 1/) ) 171 Irr(3)%mat(:,:,11) = RESHAPE( (/1.0/), (/1, 1/) ) 172 Irr(3)%mat(:,:,12) = RESHAPE( (/1.0/), (/1, 1/) ) 173 Irr(3)%mat(:,:,13) = RESHAPE( (/-1.0/), (/1, 1/) ) 174 Irr(3)%mat(:,:,14) = RESHAPE( (/-1.0/), (/1, 1/) ) 175 Irr(3)%mat(:,:,15) = RESHAPE( (/-1.0/), (/1, 1/) ) 176 Irr(3)%mat(:,:,16) = RESHAPE( (/-1.0/), (/1, 1/) ) 177 178 Irr(4)%name = "A2u" 179 Irr(4)%dim = 1 180 Irr(4)%nsym = 16 181 ABI_MALLOC(Irr(4)%mat, (1,1,16)) 182 Irr(4)%mat(:,:,1) = RESHAPE( (/1.0/), (/1, 1/) ) 183 Irr(4)%mat(:,:,2) = RESHAPE( (/1.0/), (/1, 1/) ) 184 Irr(4)%mat(:,:,3) = RESHAPE( (/1.0/), (/1, 1/) ) 185 Irr(4)%mat(:,:,4) = RESHAPE( (/1.0/), (/1, 1/) ) 186 Irr(4)%mat(:,:,5) = RESHAPE( (/-1.0/), (/1, 1/) ) 187 Irr(4)%mat(:,:,6) = RESHAPE( (/-1.0/), (/1, 1/) ) 188 Irr(4)%mat(:,:,7) = RESHAPE( (/-1.0/), (/1, 1/) ) 189 Irr(4)%mat(:,:,8) = RESHAPE( (/-1.0/), (/1, 1/) ) 190 Irr(4)%mat(:,:,9) = RESHAPE( (/-1.0/), (/1, 1/) ) 191 Irr(4)%mat(:,:,10) = RESHAPE( (/-1.0/), (/1, 1/) ) 192 Irr(4)%mat(:,:,11) = RESHAPE( (/-1.0/), (/1, 1/) ) 193 Irr(4)%mat(:,:,12) = RESHAPE( (/-1.0/), (/1, 1/) ) 194 Irr(4)%mat(:,:,13) = RESHAPE( (/1.0/), (/1, 1/) ) 195 Irr(4)%mat(:,:,14) = RESHAPE( (/1.0/), (/1, 1/) ) 196 Irr(4)%mat(:,:,15) = RESHAPE( (/1.0/), (/1, 1/) ) 197 Irr(4)%mat(:,:,16) = RESHAPE( (/1.0/), (/1, 1/) ) 198 199 Irr(5)%name = "B1g" 200 Irr(5)%dim = 1 201 Irr(5)%nsym = 16 202 ABI_MALLOC(Irr(5)%mat, (1,1,16)) 203 Irr(5)%mat(:,:,1) = RESHAPE( (/1.0/), (/1, 1/) ) 204 Irr(5)%mat(:,:,2) = RESHAPE( (/1.0/), (/1, 1/) ) 205 Irr(5)%mat(:,:,3) = RESHAPE( (/-1.0/), (/1, 1/) ) 206 Irr(5)%mat(:,:,4) = RESHAPE( (/-1.0/), (/1, 1/) ) 207 Irr(5)%mat(:,:,5) = RESHAPE( (/1.0/), (/1, 1/) ) 208 Irr(5)%mat(:,:,6) = RESHAPE( (/1.0/), (/1, 1/) ) 209 Irr(5)%mat(:,:,7) = RESHAPE( (/-1.0/), (/1, 1/) ) 210 Irr(5)%mat(:,:,8) = RESHAPE( (/-1.0/), (/1, 1/) ) 211 Irr(5)%mat(:,:,9) = RESHAPE( (/1.0/), (/1, 1/) ) 212 Irr(5)%mat(:,:,10) = RESHAPE( (/1.0/), (/1, 1/) ) 213 Irr(5)%mat(:,:,11) = RESHAPE( (/-1.0/), (/1, 1/) ) 214 Irr(5)%mat(:,:,12) = RESHAPE( (/-1.0/), (/1, 1/) ) 215 Irr(5)%mat(:,:,13) = RESHAPE( (/1.0/), (/1, 1/) ) 216 Irr(5)%mat(:,:,14) = RESHAPE( (/1.0/), (/1, 1/) ) 217 Irr(5)%mat(:,:,15) = RESHAPE( (/-1.0/), (/1, 1/) ) 218 Irr(5)%mat(:,:,16) = RESHAPE( (/-1.0/), (/1, 1/) ) 219 220 Irr(6)%name = "B1u" 221 Irr(6)%dim = 1 222 Irr(6)%nsym = 16 223 ABI_MALLOC(Irr(6)%mat, (1,1,16)) 224 Irr(6)%mat(:,:,1) = RESHAPE( (/1.0/), (/1, 1/) ) 225 Irr(6)%mat(:,:,2) = RESHAPE( (/1.0/), (/1, 1/) ) 226 Irr(6)%mat(:,:,3) = RESHAPE( (/-1.0/), (/1, 1/) ) 227 Irr(6)%mat(:,:,4) = RESHAPE( (/-1.0/), (/1, 1/) ) 228 Irr(6)%mat(:,:,5) = RESHAPE( (/1.0/), (/1, 1/) ) 229 Irr(6)%mat(:,:,6) = RESHAPE( (/1.0/), (/1, 1/) ) 230 Irr(6)%mat(:,:,7) = RESHAPE( (/-1.0/), (/1, 1/) ) 231 Irr(6)%mat(:,:,8) = RESHAPE( (/-1.0/), (/1, 1/) ) 232 Irr(6)%mat(:,:,9) = RESHAPE( (/-1.0/), (/1, 1/) ) 233 Irr(6)%mat(:,:,10) = RESHAPE( (/-1.0/), (/1, 1/) ) 234 Irr(6)%mat(:,:,11) = RESHAPE( (/1.0/), (/1, 1/) ) 235 Irr(6)%mat(:,:,12) = RESHAPE( (/1.0/), (/1, 1/) ) 236 Irr(6)%mat(:,:,13) = RESHAPE( (/-1.0/), (/1, 1/) ) 237 Irr(6)%mat(:,:,14) = RESHAPE( (/-1.0/), (/1, 1/) ) 238 Irr(6)%mat(:,:,15) = RESHAPE( (/1.0/), (/1, 1/) ) 239 Irr(6)%mat(:,:,16) = RESHAPE( (/1.0/), (/1, 1/) ) 240 241 Irr(7)%name = "B2g" 242 Irr(7)%dim = 1 243 Irr(7)%nsym = 16 244 ABI_MALLOC(Irr(7)%mat, (1,1,16)) 245 Irr(7)%mat(:,:,1) = RESHAPE( (/1.0/), (/1, 1/) ) 246 Irr(7)%mat(:,:,2) = RESHAPE( (/1.0/), (/1, 1/) ) 247 Irr(7)%mat(:,:,3) = RESHAPE( (/-1.0/), (/1, 1/) ) 248 Irr(7)%mat(:,:,4) = RESHAPE( (/-1.0/), (/1, 1/) ) 249 Irr(7)%mat(:,:,5) = RESHAPE( (/-1.0/), (/1, 1/) ) 250 Irr(7)%mat(:,:,6) = RESHAPE( (/-1.0/), (/1, 1/) ) 251 Irr(7)%mat(:,:,7) = RESHAPE( (/1.0/), (/1, 1/) ) 252 Irr(7)%mat(:,:,8) = RESHAPE( (/1.0/), (/1, 1/) ) 253 Irr(7)%mat(:,:,9) = RESHAPE( (/1.0/), (/1, 1/) ) 254 Irr(7)%mat(:,:,10) = RESHAPE( (/1.0/), (/1, 1/) ) 255 Irr(7)%mat(:,:,11) = RESHAPE( (/-1.0/), (/1, 1/) ) 256 Irr(7)%mat(:,:,12) = RESHAPE( (/-1.0/), (/1, 1/) ) 257 Irr(7)%mat(:,:,13) = RESHAPE( (/-1.0/), (/1, 1/) ) 258 Irr(7)%mat(:,:,14) = RESHAPE( (/-1.0/), (/1, 1/) ) 259 Irr(7)%mat(:,:,15) = RESHAPE( (/1.0/), (/1, 1/) ) 260 Irr(7)%mat(:,:,16) = RESHAPE( (/1.0/), (/1, 1/) ) 261 262 Irr(8)%name = "B2u" 263 Irr(8)%dim = 1 264 Irr(8)%nsym = 16 265 ABI_MALLOC(Irr(8)%mat, (1,1,16)) 266 Irr(8)%mat(:,:,1) = RESHAPE( (/1.0/), (/1, 1/) ) 267 Irr(8)%mat(:,:,2) = RESHAPE( (/1.0/), (/1, 1/) ) 268 Irr(8)%mat(:,:,3) = RESHAPE( (/-1.0/), (/1, 1/) ) 269 Irr(8)%mat(:,:,4) = RESHAPE( (/-1.0/), (/1, 1/) ) 270 Irr(8)%mat(:,:,5) = RESHAPE( (/-1.0/), (/1, 1/) ) 271 Irr(8)%mat(:,:,6) = RESHAPE( (/-1.0/), (/1, 1/) ) 272 Irr(8)%mat(:,:,7) = RESHAPE( (/1.0/), (/1, 1/) ) 273 Irr(8)%mat(:,:,8) = RESHAPE( (/1.0/), (/1, 1/) ) 274 Irr(8)%mat(:,:,9) = RESHAPE( (/-1.0/), (/1, 1/) ) 275 Irr(8)%mat(:,:,10) = RESHAPE( (/-1.0/), (/1, 1/) ) 276 Irr(8)%mat(:,:,11) = RESHAPE( (/1.0/), (/1, 1/) ) 277 Irr(8)%mat(:,:,12) = RESHAPE( (/1.0/), (/1, 1/) ) 278 Irr(8)%mat(:,:,13) = RESHAPE( (/1.0/), (/1, 1/) ) 279 Irr(8)%mat(:,:,14) = RESHAPE( (/1.0/), (/1, 1/) ) 280 Irr(8)%mat(:,:,15) = RESHAPE( (/-1.0/), (/1, 1/) ) 281 Irr(8)%mat(:,:,16) = RESHAPE( (/-1.0/), (/1, 1/) ) 282 283 Irr(9)%name = "Eu" 284 Irr(9)%dim = 2 285 Irr(9)%nsym = 16 286 ABI_MALLOC(Irr(9)%mat, (2,2,16)) 287 Irr(9)%mat(:,:,1) = RESHAPE( (/1.0, 0.0, 0.0, 1.0/), (/2, 2/) ) 288 Irr(9)%mat(:,:,2) = RESHAPE( (/-1.0, 0.0, 0.0, -1.0/), (/2, 2/) ) 289 Irr(9)%mat(:,:,3) = RESHAPE( (/1*j, 0*j, 0*j, -0-1*j/), (/2, 2/) ) 290 Irr(9)%mat(:,:,4) = RESHAPE( (/-0-1*j, 0*j, 0*j, 1*j/), (/2, 2/) ) 291 Irr(9)%mat(:,:,5) = RESHAPE( (/0.0, 1.0, 1.0, 0.0/), (/2, 2/) ) 292 Irr(9)%mat(:,:,6) = RESHAPE( (/0.0, -1.0, -1.0, 0.0/), (/2, 2/) ) 293 Irr(9)%mat(:,:,7) = RESHAPE( (/0*j, 1*j, -0-1*j, 0*j/), (/2, 2/) ) 294 Irr(9)%mat(:,:,8) = RESHAPE( (/0*j, -0-1*j, 1*j, 0*j/), (/2, 2/) ) 295 Irr(9)%mat(:,:,9) = RESHAPE( (/-1.0, 0.0, 0.0, -1.0/), (/2, 2/) ) 296 Irr(9)%mat(:,:,10) = RESHAPE( (/1.0, 0.0, 0.0, 1.0/), (/2, 2/) ) 297 Irr(9)%mat(:,:,11) = RESHAPE( (/-0-1*j, 0*j, 0*j, 1*j/), (/2, 2/) ) 298 Irr(9)%mat(:,:,12) = RESHAPE( (/1*j, 0*j, 0*j, -0-1*j/), (/2, 2/) ) 299 Irr(9)%mat(:,:,13) = RESHAPE( (/0.0, -1.0, -1.0, 0.0/), (/2, 2/) ) 300 Irr(9)%mat(:,:,14) = RESHAPE( (/0.0, 1.0, 1.0, 0.0/), (/2, 2/) ) 301 Irr(9)%mat(:,:,15) = RESHAPE( (/0*j, -0-1*j, 1*j, 0*j/), (/2, 2/) ) 302 Irr(9)%mat(:,:,16) = RESHAPE( (/0*j, 1*j, -0-1*j, 0*j/), (/2, 2/) ) 303 304 Irr(10)%name = "Eg" 305 Irr(10)%dim = 2 306 Irr(10)%nsym = 16 307 ABI_MALLOC(Irr(10)%mat, (2,2,16)) 308 Irr(10)%mat(:,:,1) = RESHAPE( (/1.0, 0.0, 0.0, 1.0/), (/2, 2/) ) 309 Irr(10)%mat(:,:,2) = RESHAPE( (/-1.0, 0.0, 0.0, -1.0/), (/2, 2/) ) 310 Irr(10)%mat(:,:,3) = RESHAPE( (/1*j, 0*j, 0*j, -0-1*j/), (/2, 2/) ) 311 Irr(10)%mat(:,:,4) = RESHAPE( (/-0-1*j, 0*j, 0*j, 1*j/), (/2, 2/) ) 312 Irr(10)%mat(:,:,5) = RESHAPE( (/0.0, 1.0, 1.0, 0.0/), (/2, 2/) ) 313 Irr(10)%mat(:,:,6) = RESHAPE( (/0.0, -1.0, -1.0, 0.0/), (/2, 2/) ) 314 Irr(10)%mat(:,:,7) = RESHAPE( (/0*j, 1*j, -0-1*j, 0*j/), (/2, 2/) ) 315 Irr(10)%mat(:,:,8) = RESHAPE( (/0*j, -0-1*j, 1*j, 0*j/), (/2, 2/) ) 316 Irr(10)%mat(:,:,9) = RESHAPE( (/1.0, 0.0, 0.0, 1.0/), (/2, 2/) ) 317 Irr(10)%mat(:,:,10) = RESHAPE( (/-1.0, 0.0, 0.0, -1.0/), (/2, 2/) ) 318 Irr(10)%mat(:,:,11) = RESHAPE( (/1*j, 0*j, 0*j, -0-1*j/), (/2, 2/) ) 319 Irr(10)%mat(:,:,12) = RESHAPE( (/-0-1*j, 0*j, 0*j, 1*j/), (/2, 2/) ) 320 Irr(10)%mat(:,:,13) = RESHAPE( (/0.0, 1.0, 1.0, 0.0/), (/2, 2/) ) 321 Irr(10)%mat(:,:,14) = RESHAPE( (/0.0, -1.0, -1.0, 0.0/), (/2, 2/) ) 322 Irr(10)%mat(:,:,15) = RESHAPE( (/0*j, 1*j, -0-1*j, 0*j/), (/2, 2/) ) 323 Irr(10)%mat(:,:,16) = RESHAPE( (/0*j, -0-1*j, 1*j, 0*j/), (/2, 2/) ) 324 325 RETURN 326 if (.FALSE.) write(std_out,*) j 327 end subroutine ptg_D4h