TABLE OF CONTENTS
ABINIT/ptg_Td [ Functions ]
NAME
ptg_Td
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 Td (-43m) 27 28 #if defined HAVE_CONFIG_H 29 #include "config.h" 30 #endif 31 32 #include "abi_common.h" 33 34 module m_ptg_Td 35 36 #ifdef FC_INTEL 37 !DEC$ NOOPTIMIZE 38 #endif 39 40 contains 41 !!** 42 43 subroutine ptg_Td (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( (/0, 1, 0, 1, 0, 0, 0, 0, 1/) ,(/3,3/) ) 74 sym(:,:,14) = RESHAPE( (/0, -1, 0, -1, 0, 0, 0, 0, 1/) ,(/3,3/) ) 75 sym(:,:,15) = RESHAPE( (/1, 0, 0, 0, 0, 1, 0, 1, 0/) ,(/3,3/) ) 76 sym(:,:,16) = RESHAPE( (/1, 0, 0, 0, 0, -1, 0, -1, 0/) ,(/3,3/) ) 77 sym(:,:,17) = RESHAPE( (/0, 0, 1, 0, 1, 0, 1, 0, 0/) ,(/3,3/) ) 78 sym(:,:,18) = RESHAPE( (/0, 0, -1, 0, 1, 0, -1, 0, 0/) ,(/3,3/) ) 79 sym(:,:,19) = RESHAPE( (/0, 1, 0, -1, 0, 0, 0, 0, -1/) ,(/3,3/) ) 80 sym(:,:,20) = RESHAPE( (/0, -1, 0, 1, 0, 0, 0, 0, -1/) ,(/3,3/) ) 81 sym(:,:,21) = RESHAPE( (/-1, 0, 0, 0, 0, -1, 0, 1, 0/) ,(/3,3/) ) 82 sym(:,:,22) = RESHAPE( (/-1, 0, 0, 0, 0, 1, 0, -1, 0/) ,(/3,3/) ) 83 sym(:,:,23) = RESHAPE( (/0, 0, -1, 0, -1, 0, 1, 0, 0/) ,(/3,3/) ) 84 sym(:,:,24) = RESHAPE( (/0, 0, 1, 0, -1, 0, -1, 0, 0/) ,(/3,3/) ) 85 86 ! Number of classes and corresponding indices 87 nclass = 5 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) = 12 95 class_ids(1,4) = 13 96 class_ids(2,4) = 18 97 class_ids(1,5) = 19 98 class_ids(2,5) = 24 99 100 ABI_MALLOC(class_names,(5)) 101 class_names(1) = "1+" 102 class_names(2) = "2+" 103 class_names(3) = "3+" 104 class_names(4) = "-2+" 105 class_names(5) = "-4+" 106 107 ! List of irreducible representations. 108 ABI_MALLOC(Irr, (5)) 109 Irr(1)%name = "A1" 110 Irr(1)%dim = 1 111 Irr(1)%nsym = 24 112 ABI_MALLOC(Irr(1)%mat, (1,1,24)) 113 Irr(1)%mat(:,:,1) = RESHAPE( (/1.0/), (/1, 1/) ) 114 Irr(1)%mat(:,:,2) = RESHAPE( (/1.0/), (/1, 1/) ) 115 Irr(1)%mat(:,:,3) = RESHAPE( (/1.0/), (/1, 1/) ) 116 Irr(1)%mat(:,:,4) = RESHAPE( (/1.0/), (/1, 1/) ) 117 Irr(1)%mat(:,:,5) = RESHAPE( (/1.0/), (/1, 1/) ) 118 Irr(1)%mat(:,:,6) = RESHAPE( (/1.0/), (/1, 1/) ) 119 Irr(1)%mat(:,:,7) = RESHAPE( (/1.0/), (/1, 1/) ) 120 Irr(1)%mat(:,:,8) = RESHAPE( (/1.0/), (/1, 1/) ) 121 Irr(1)%mat(:,:,9) = RESHAPE( (/1.0/), (/1, 1/) ) 122 Irr(1)%mat(:,:,10) = RESHAPE( (/1.0/), (/1, 1/) ) 123 Irr(1)%mat(:,:,11) = RESHAPE( (/1.0/), (/1, 1/) ) 124 Irr(1)%mat(:,:,12) = RESHAPE( (/1.0/), (/1, 1/) ) 125 Irr(1)%mat(:,:,13) = RESHAPE( (/1.0/), (/1, 1/) ) 126 Irr(1)%mat(:,:,14) = RESHAPE( (/1.0/), (/1, 1/) ) 127 Irr(1)%mat(:,:,15) = RESHAPE( (/1.0/), (/1, 1/) ) 128 Irr(1)%mat(:,:,16) = RESHAPE( (/1.0/), (/1, 1/) ) 129 Irr(1)%mat(:,:,17) = RESHAPE( (/1.0/), (/1, 1/) ) 130 Irr(1)%mat(:,:,18) = RESHAPE( (/1.0/), (/1, 1/) ) 131 Irr(1)%mat(:,:,19) = RESHAPE( (/1.0/), (/1, 1/) ) 132 Irr(1)%mat(:,:,20) = RESHAPE( (/1.0/), (/1, 1/) ) 133 Irr(1)%mat(:,:,21) = RESHAPE( (/1.0/), (/1, 1/) ) 134 Irr(1)%mat(:,:,22) = RESHAPE( (/1.0/), (/1, 1/) ) 135 Irr(1)%mat(:,:,23) = RESHAPE( (/1.0/), (/1, 1/) ) 136 Irr(1)%mat(:,:,24) = RESHAPE( (/1.0/), (/1, 1/) ) 137 138 Irr(2)%name = "A2" 139 Irr(2)%dim = 1 140 Irr(2)%nsym = 24 141 ABI_MALLOC(Irr(2)%mat, (1,1,24)) 142 Irr(2)%mat(:,:,1) = RESHAPE( (/1.0/), (/1, 1/) ) 143 Irr(2)%mat(:,:,2) = RESHAPE( (/1.0/), (/1, 1/) ) 144 Irr(2)%mat(:,:,3) = RESHAPE( (/1.0/), (/1, 1/) ) 145 Irr(2)%mat(:,:,4) = RESHAPE( (/1.0/), (/1, 1/) ) 146 Irr(2)%mat(:,:,5) = RESHAPE( (/1.0/), (/1, 1/) ) 147 Irr(2)%mat(:,:,6) = RESHAPE( (/1.0/), (/1, 1/) ) 148 Irr(2)%mat(:,:,7) = RESHAPE( (/1.0/), (/1, 1/) ) 149 Irr(2)%mat(:,:,8) = RESHAPE( (/1.0/), (/1, 1/) ) 150 Irr(2)%mat(:,:,9) = RESHAPE( (/1.0/), (/1, 1/) ) 151 Irr(2)%mat(:,:,10) = RESHAPE( (/1.0/), (/1, 1/) ) 152 Irr(2)%mat(:,:,11) = RESHAPE( (/1.0/), (/1, 1/) ) 153 Irr(2)%mat(:,:,12) = RESHAPE( (/1.0/), (/1, 1/) ) 154 Irr(2)%mat(:,:,13) = RESHAPE( (/-1.0/), (/1, 1/) ) 155 Irr(2)%mat(:,:,14) = RESHAPE( (/-1.0/), (/1, 1/) ) 156 Irr(2)%mat(:,:,15) = RESHAPE( (/-1.0/), (/1, 1/) ) 157 Irr(2)%mat(:,:,16) = RESHAPE( (/-1.0/), (/1, 1/) ) 158 Irr(2)%mat(:,:,17) = RESHAPE( (/-1.0/), (/1, 1/) ) 159 Irr(2)%mat(:,:,18) = RESHAPE( (/-1.0/), (/1, 1/) ) 160 Irr(2)%mat(:,:,19) = RESHAPE( (/-1.0/), (/1, 1/) ) 161 Irr(2)%mat(:,:,20) = RESHAPE( (/-1.0/), (/1, 1/) ) 162 Irr(2)%mat(:,:,21) = RESHAPE( (/-1.0/), (/1, 1/) ) 163 Irr(2)%mat(:,:,22) = RESHAPE( (/-1.0/), (/1, 1/) ) 164 Irr(2)%mat(:,:,23) = RESHAPE( (/-1.0/), (/1, 1/) ) 165 Irr(2)%mat(:,:,24) = RESHAPE( (/-1.0/), (/1, 1/) ) 166 167 Irr(3)%name = "E" 168 Irr(3)%dim = 2 169 Irr(3)%nsym = 24 170 ABI_MALLOC(Irr(3)%mat, (2,2,24)) 171 Irr(3)%mat(:,:,1) = RESHAPE( (/1.0, 0.0, 0.0, 1.0/), (/2, 2/) ) 172 Irr(3)%mat(:,:,2) = RESHAPE( (/1.0, 0.0, 0.0, 1.0/), (/2, 2/) ) 173 Irr(3)%mat(:,:,3) = RESHAPE( (/1.0, 0.0, 0.0, 1.0/), (/2, 2/) ) 174 Irr(3)%mat(:,:,4) = RESHAPE( (/1.0, 0.0, 0.0, 1.0/), (/2, 2/) ) 175 Irr(3)%mat(:,:,5) = RESHAPE( (/-0.5+0.86603*j, 0*j, 0*j, -0.5-0.86603*j/), (/2, 2/) ) 176 Irr(3)%mat(:,:,6) = RESHAPE( (/-0.5+0.86603*j, 0*j, 0*j, -0.5-0.86603*j/), (/2, 2/) ) 177 Irr(3)%mat(:,:,7) = RESHAPE( (/-0.5+0.86603*j, 0*j, 0*j, -0.5-0.86603*j/), (/2, 2/) ) 178 Irr(3)%mat(:,:,8) = RESHAPE( (/-0.5+0.86603*j, 0*j, 0*j, -0.5-0.86603*j/), (/2, 2/) ) 179 Irr(3)%mat(:,:,9) = RESHAPE( (/-0.5-0.86603*j, 0*j, 0*j, -0.5+0.86603*j/), (/2, 2/) ) 180 Irr(3)%mat(:,:,10) = RESHAPE( (/-0.5-0.86603*j, 0*j, 0*j, -0.5+0.86603*j/), (/2, 2/) ) 181 Irr(3)%mat(:,:,11) = RESHAPE( (/-0.5-0.86603*j, 0*j, 0*j, -0.5+0.86603*j/), (/2, 2/) ) 182 Irr(3)%mat(:,:,12) = RESHAPE( (/-0.5-0.86603*j, 0*j, 0*j, -0.5+0.86603*j/), (/2, 2/) ) 183 Irr(3)%mat(:,:,13) = RESHAPE( (/0.0, 1.0, 1.0, 0.0/), (/2, 2/) ) 184 Irr(3)%mat(:,:,14) = RESHAPE( (/0.0, 1.0, 1.0, 0.0/), (/2, 2/) ) 185 Irr(3)%mat(:,:,15) = RESHAPE( (/0*j, -0.5+0.86603*j, -0.5-0.86603*j, 0*j/), (/2, 2/) ) 186 Irr(3)%mat(:,:,16) = RESHAPE( (/0*j, -0.5+0.86603*j, -0.5-0.86603*j, 0*j/), (/2, 2/) ) 187 Irr(3)%mat(:,:,17) = RESHAPE( (/0*j, -0.5-0.86603*j, -0.5+0.86603*j, 0*j/), (/2, 2/) ) 188 Irr(3)%mat(:,:,18) = RESHAPE( (/0*j, -0.5-0.86603*j, -0.5+0.86603*j, 0*j/), (/2, 2/) ) 189 Irr(3)%mat(:,:,19) = RESHAPE( (/0.0, 1.0, 1.0, 0.0/), (/2, 2/) ) 190 Irr(3)%mat(:,:,20) = RESHAPE( (/0.0, 1.0, 1.0, 0.0/), (/2, 2/) ) 191 Irr(3)%mat(:,:,21) = RESHAPE( (/0*j, -0.5+0.86603*j, -0.5-0.86603*j, 0*j/), (/2, 2/) ) 192 Irr(3)%mat(:,:,22) = RESHAPE( (/0*j, -0.5+0.86603*j, -0.5-0.86603*j, 0*j/), (/2, 2/) ) 193 Irr(3)%mat(:,:,23) = RESHAPE( (/0*j, -0.5-0.86603*j, -0.5+0.86603*j, 0*j/), (/2, 2/) ) 194 Irr(3)%mat(:,:,24) = RESHAPE( (/0*j, -0.5-0.86603*j, -0.5+0.86603*j, 0*j/), (/2, 2/) ) 195 196 Irr(4)%name = "T1" 197 Irr(4)%dim = 3 198 Irr(4)%nsym = 24 199 ABI_MALLOC(Irr(4)%mat, (3,3,24)) 200 Irr(4)%mat(:,:,1) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) ) 201 Irr(4)%mat(:,:,2) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, -1.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) ) 202 Irr(4)%mat(:,:,3) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) ) 203 Irr(4)%mat(:,:,4) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, -1.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) ) 204 Irr(4)%mat(:,:,5) = RESHAPE( (/0.0, 1.0, 0.0, 0.0, 0.0, 1.0, 1.0, 0.0, 0.0/), (/3, 3/) ) 205 Irr(4)%mat(:,:,6) = RESHAPE( (/0.0, 1.0, 0.0, 0.0, 0.0, -1.0, -1.0, 0.0, 0.0/), (/3, 3/) ) 206 Irr(4)%mat(:,:,7) = RESHAPE( (/0.0, -1.0, 0.0, 0.0, 0.0, 1.0, -1.0, 0.0, 0.0/), (/3, 3/) ) 207 Irr(4)%mat(:,:,8) = RESHAPE( (/0.0, -1.0, 0.0, 0.0, 0.0, -1.0, 1.0, 0.0, 0.0/), (/3, 3/) ) 208 Irr(4)%mat(:,:,9) = RESHAPE( (/0.0, 0.0, 1.0, 1.0, 0.0, 0.0, 0.0, 1.0, 0.0/), (/3, 3/) ) 209 Irr(4)%mat(:,:,10) = RESHAPE( (/0.0, 0.0, 1.0, -1.0, 0.0, 0.0, 0.0, -1.0, 0.0/), (/3, 3/) ) 210 Irr(4)%mat(:,:,11) = RESHAPE( (/0.0, 0.0, -1.0, 1.0, 0.0, 0.0, 0.0, -1.0, 0.0/), (/3, 3/) ) 211 Irr(4)%mat(:,:,12) = RESHAPE( (/0.0, 0.0, -1.0, -1.0, 0.0, 0.0, 0.0, 1.0, 0.0/), (/3, 3/) ) 212 Irr(4)%mat(:,:,13) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, 0.0, -1.0, 0.0, -1.0, 0.0/), (/3, 3/) ) 213 Irr(4)%mat(:,:,14) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 1.0, 0.0/), (/3, 3/) ) 214 Irr(4)%mat(:,:,15) = RESHAPE( (/0.0, 0.0, -1.0, 0.0, -1.0, 0.0, -1.0, 0.0, 0.0/), (/3, 3/) ) 215 Irr(4)%mat(:,:,16) = RESHAPE( (/0.0, 0.0, 1.0, 0.0, -1.0, 0.0, 1.0, 0.0, 0.0/), (/3, 3/) ) 216 Irr(4)%mat(:,:,17) = RESHAPE( (/0.0, -1.0, 0.0, -1.0, 0.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) ) 217 Irr(4)%mat(:,:,18) = RESHAPE( (/0.0, 1.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) ) 218 Irr(4)%mat(:,:,19) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, 0.0, -1.0, 0.0, 1.0, 0.0/), (/3, 3/) ) 219 Irr(4)%mat(:,:,20) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, -1.0, 0.0/), (/3, 3/) ) 220 Irr(4)%mat(:,:,21) = RESHAPE( (/0.0, 0.0, -1.0, 0.0, 1.0, 0.0, 1.0, 0.0, 0.0/), (/3, 3/) ) 221 Irr(4)%mat(:,:,22) = RESHAPE( (/0.0, 0.0, 1.0, 0.0, 1.0, 0.0, -1.0, 0.0, 0.0/), (/3, 3/) ) 222 Irr(4)%mat(:,:,23) = RESHAPE( (/0.0, -1.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) ) 223 Irr(4)%mat(:,:,24) = RESHAPE( (/0.0, 1.0, 0.0, -1.0, 0.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) ) 224 225 Irr(5)%name = "T2" 226 Irr(5)%dim = 3 227 Irr(5)%nsym = 24 228 ABI_MALLOC(Irr(5)%mat, (3,3,24)) 229 Irr(5)%mat(:,:,1) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) ) 230 Irr(5)%mat(:,:,2) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, -1.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) ) 231 Irr(5)%mat(:,:,3) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) ) 232 Irr(5)%mat(:,:,4) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, -1.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) ) 233 Irr(5)%mat(:,:,5) = RESHAPE( (/0.0, 1.0, 0.0, 0.0, 0.0, 1.0, 1.0, 0.0, 0.0/), (/3, 3/) ) 234 Irr(5)%mat(:,:,6) = RESHAPE( (/0.0, 1.0, 0.0, 0.0, 0.0, -1.0, -1.0, 0.0, 0.0/), (/3, 3/) ) 235 Irr(5)%mat(:,:,7) = RESHAPE( (/0.0, -1.0, 0.0, 0.0, 0.0, 1.0, -1.0, 0.0, 0.0/), (/3, 3/) ) 236 Irr(5)%mat(:,:,8) = RESHAPE( (/0.0, -1.0, 0.0, 0.0, 0.0, -1.0, 1.0, 0.0, 0.0/), (/3, 3/) ) 237 Irr(5)%mat(:,:,9) = RESHAPE( (/0.0, 0.0, 1.0, 1.0, 0.0, 0.0, 0.0, 1.0, 0.0/), (/3, 3/) ) 238 Irr(5)%mat(:,:,10) = RESHAPE( (/0.0, 0.0, 1.0, -1.0, 0.0, 0.0, 0.0, -1.0, 0.0/), (/3, 3/) ) 239 Irr(5)%mat(:,:,11) = RESHAPE( (/0.0, 0.0, -1.0, 1.0, 0.0, 0.0, 0.0, -1.0, 0.0/), (/3, 3/) ) 240 Irr(5)%mat(:,:,12) = RESHAPE( (/0.0, 0.0, -1.0, -1.0, 0.0, 0.0, 0.0, 1.0, 0.0/), (/3, 3/) ) 241 Irr(5)%mat(:,:,13) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 1.0, 0.0/), (/3, 3/) ) 242 Irr(5)%mat(:,:,14) = RESHAPE( (/1.0, 0.0, 0.0, 0.0, 0.0, -1.0, 0.0, -1.0, 0.0/), (/3, 3/) ) 243 Irr(5)%mat(:,:,15) = RESHAPE( (/0.0, 0.0, 1.0, 0.0, 1.0, 0.0, 1.0, 0.0, 0.0/), (/3, 3/) ) 244 Irr(5)%mat(:,:,16) = RESHAPE( (/0.0, 0.0, -1.0, 0.0, 1.0, 0.0, -1.0, 0.0, 0.0/), (/3, 3/) ) 245 Irr(5)%mat(:,:,17) = RESHAPE( (/0.0, 1.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) ) 246 Irr(5)%mat(:,:,18) = RESHAPE( (/0.0, -1.0, 0.0, -1.0, 0.0, 0.0, 0.0, 0.0, 1.0/), (/3, 3/) ) 247 Irr(5)%mat(:,:,19) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, 0.0, 1.0, 0.0, -1.0, 0.0/), (/3, 3/) ) 248 Irr(5)%mat(:,:,20) = RESHAPE( (/-1.0, 0.0, 0.0, 0.0, 0.0, -1.0, 0.0, 1.0, 0.0/), (/3, 3/) ) 249 Irr(5)%mat(:,:,21) = RESHAPE( (/0.0, 0.0, 1.0, 0.0, -1.0, 0.0, -1.0, 0.0, 0.0/), (/3, 3/) ) 250 Irr(5)%mat(:,:,22) = RESHAPE( (/0.0, 0.0, -1.0, 0.0, -1.0, 0.0, 1.0, 0.0, 0.0/), (/3, 3/) ) 251 Irr(5)%mat(:,:,23) = RESHAPE( (/0.0, 1.0, 0.0, -1.0, 0.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) ) 252 Irr(5)%mat(:,:,24) = RESHAPE( (/0.0, -1.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, -1.0/), (/3, 3/) ) 253 254 RETURN 255 if (.FALSE.) write(std_out,*) j 256 end subroutine ptg_Td