TABLE OF CONTENTS
ABINIT/ptg_O [ Functions ]
NAME
ptg_O
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 O (432) 33 34 #if defined HAVE_CONFIG_H 35 #include "config.h" 36 #endif 37 38 #include "abi_common.h" 39 40 subroutine ptg_O (nsym,nclass,sym,class_ids,class_names,Irr) 41 use defs_basis 42 use m_profiling_abi 43 use m_defs_ptgroups, only : irrep_t 44 45 !This section has been created automatically by the script Abilint (TD). 46 !Do not modify the following lines by hand. 47 #undef ABI_FUNC 48 #define ABI_FUNC 'ptg_O' 49 !End of the abilint section 50 51 implicit none 52 !Arguments ------------------------------------ 53 integer,intent(out) :: nclass,nsym 54 !arrays 55 integer,allocatable,intent(out) :: sym(:,:,:), class_ids(:,:) 56 character(len=5),allocatable,intent(out) :: class_names(:) 57 type(irrep_t),allocatable,intent(out) :: Irr(:) 58 !Local variables------------------------------- 59 complex(dpc) :: j=(0.0_dp,1.0_dp) 60 ! ******************************************************************************** 61 ! List of symmetries packed in classes 62 nsym = 24 63 ABI_MALLOC(sym, (3,3,nsym)) 64 sym(:,:,1) = RESHAPE( (/1, 0, 0, 0, 1, 0, 0, 0, 1/) ,(/3,3/) ) 65 sym(:,:,2) = RESHAPE( (/-1, 0, 0, 0, -1, 0, 0, 0, 1/) ,(/3,3/) ) 66 sym(:,:,3) = RESHAPE( (/1, 0, 0, 0, -1, 0, 0, 0, -1/) ,(/3,3/) ) 67 sym(:,:,4) = RESHAPE( (/-1, 0, 0, 0, 1, 0, 0, 0, -1/) ,(/3,3/) ) 68 sym(:,:,5) = RESHAPE( (/0, 1, 0, 0, 0, 1, 1, 0, 0/) ,(/3,3/) ) 69 sym(:,:,6) = RESHAPE( (/0, -1, 0, 0, 0, -1, 1, 0, 0/) ,(/3,3/) ) 70 sym(:,:,7) = RESHAPE( (/0, 1, 0, 0, 0, -1, -1, 0, 0/) ,(/3,3/) ) 71 sym(:,:,8) = RESHAPE( (/0, -1, 0, 0, 0, 1, -1, 0, 0/) ,(/3,3/) ) 72 sym(:,:,9) = RESHAPE( (/0, 0, 1, 1, 0, 0, 0, 1, 0/) ,(/3,3/) ) 73 sym(:,:,10) = RESHAPE( (/0, 0, -1, -1, 0, 0, 0, 1, 0/) ,(/3,3/) ) 74 sym(:,:,11) = RESHAPE( (/0, 0, 1, -1, 0, 0, 0, -1, 0/) ,(/3,3/) ) 75 sym(:,:,12) = RESHAPE( (/0, 0, -1, 1, 0, 0, 0, -1, 0/) ,(/3,3/) ) 76 sym(:,:,13) = RESHAPE( (/0, 1, 0, 1, 0, 0, 0, 0, -1/) ,(/3,3/) ) 77 sym(:,:,14) = RESHAPE( (/0, -1, 0, -1, 0, 0, 0, 0, -1/) ,(/3,3/) ) 78 sym(:,:,15) = RESHAPE( (/-1, 0, 0, 0, 0, 1, 0, 1, 0/) ,(/3,3/) ) 79 sym(:,:,16) = RESHAPE( (/-1, 0, 0, 0, 0, -1, 0, -1, 0/) ,(/3,3/) ) 80 sym(:,:,17) = RESHAPE( (/0, 0, 1, 0, -1, 0, 1, 0, 0/) ,(/3,3/) ) 81 sym(:,:,18) = RESHAPE( (/0, 0, -1, 0, -1, 0, -1, 0, 0/) ,(/3,3/) ) 82 sym(:,:,19) = RESHAPE( (/0, 1, 0, -1, 0, 0, 0, 0, 1/) ,(/3,3/) ) 83 sym(:,:,20) = RESHAPE( (/0, -1, 0, 1, 0, 0, 0, 0, 1/) ,(/3,3/) ) 84 sym(:,:,21) = RESHAPE( (/1, 0, 0, 0, 0, -1, 0, 1, 0/) ,(/3,3/) ) 85 sym(:,:,22) = RESHAPE( (/1, 0, 0, 0, 0, 1, 0, -1, 0/) ,(/3,3/) ) 86 sym(:,:,23) = RESHAPE( (/0, 0, -1, 0, 1, 0, 1, 0, 0/) ,(/3,3/) ) 87 sym(:,:,24) = RESHAPE( (/0, 0, 1, 0, 1, 0, -1, 0, 0/) ,(/3,3/) ) 88 89 ! Number of classes and corresponding indeces 90 nclass = 5 91 ABI_MALLOC(class_ids, (2,nclass)) 92 class_ids(1,1) = 1 93 class_ids(2,1) = 1 94 class_ids(1,2) = 2 95 class_ids(2,2) = 4 96 class_ids(1,3) = 5 97 class_ids(2,3) = 12 98 class_ids(1,4) = 13 99 class_ids(2,4) = 18 100 class_ids(1,5) = 19 101 class_ids(2,5) = 24 102 103 ABI_MALLOC(class_names,(5)) 104 class_names(1) = "1+" 105 class_names(2) = "2+" 106 class_names(3) = "3+" 107 class_names(4) = "2+" 108 class_names(5) = "4+" 109 110 ! List of irreducible representations. 111 ABI_DT_MALLOC(Irr, (5)) 112 Irr(1)%name = "A1" 113 Irr(1)%dim = 1 114 Irr(1)%nsym = 24 115 ABI_MALLOC(Irr(1)%mat, (1,1,24)) 116 Irr(1)%mat(:,:,1) = RESHAPE( (/1.0/), (/1, 1/) ) 117 Irr(1)%mat(:,:,2) = RESHAPE( (/1.0/), (/1, 1/) ) 118 Irr(1)%mat(:,:,3) = RESHAPE( (/1.0/), (/1, 1/) ) 119 Irr(1)%mat(:,:,4) = RESHAPE( (/1.0/), (/1, 1/) ) 120 Irr(1)%mat(:,:,5) = RESHAPE( (/1.0/), (/1, 1/) ) 121 Irr(1)%mat(:,:,6) = RESHAPE( (/1.0/), (/1, 1/) ) 122 Irr(1)%mat(:,:,7) = RESHAPE( (/1.0/), (/1, 1/) ) 123 Irr(1)%mat(:,:,8) = RESHAPE( (/1.0/), (/1, 1/) ) 124 Irr(1)%mat(:,:,9) = RESHAPE( (/1.0/), (/1, 1/) ) 125 Irr(1)%mat(:,:,10) = RESHAPE( (/1.0/), (/1, 1/) ) 126 Irr(1)%mat(:,:,11) = RESHAPE( (/1.0/), (/1, 1/) ) 127 Irr(1)%mat(:,:,12) = RESHAPE( (/1.0/), (/1, 1/) ) 128 Irr(1)%mat(:,:,13) = RESHAPE( (/1.0/), (/1, 1/) ) 129 Irr(1)%mat(:,:,14) = RESHAPE( (/1.0/), (/1, 1/) ) 130 Irr(1)%mat(:,:,15) = RESHAPE( (/1.0/), (/1, 1/) ) 131 Irr(1)%mat(:,:,16) = RESHAPE( (/1.0/), (/1, 1/) ) 132 Irr(1)%mat(:,:,17) = RESHAPE( (/1.0/), (/1, 1/) ) 133 Irr(1)%mat(:,:,18) = RESHAPE( (/1.0/), (/1, 1/) ) 134 Irr(1)%mat(:,:,19) = RESHAPE( (/1.0/), (/1, 1/) ) 135 Irr(1)%mat(:,:,20) = RESHAPE( (/1.0/), (/1, 1/) ) 136 Irr(1)%mat(:,:,21) = RESHAPE( (/1.0/), (/1, 1/) ) 137 Irr(1)%mat(:,:,22) = RESHAPE( (/1.0/), (/1, 1/) ) 138 Irr(1)%mat(:,:,23) = RESHAPE( (/1.0/), (/1, 1/) ) 139 Irr(1)%mat(:,:,24) = RESHAPE( (/1.0/), (/1, 1/) ) 140 141 Irr(2)%name = "A2" 142 Irr(2)%dim = 1 143 Irr(2)%nsym = 24 144 ABI_MALLOC(Irr(2)%mat, (1,1,24)) 145 Irr(2)%mat(:,:,1) = RESHAPE( (/1.0/), (/1, 1/) ) 146 Irr(2)%mat(:,:,2) = RESHAPE( (/1.0/), (/1, 1/) ) 147 Irr(2)%mat(:,:,3) = RESHAPE( (/1.0/), (/1, 1/) ) 148 Irr(2)%mat(:,:,4) = RESHAPE( (/1.0/), (/1, 1/) ) 149 Irr(2)%mat(:,:,5) = RESHAPE( (/1.0/), (/1, 1/) ) 150 Irr(2)%mat(:,:,6) = RESHAPE( (/1.0/), (/1, 1/) ) 151 Irr(2)%mat(:,:,7) = RESHAPE( (/1.0/), (/1, 1/) ) 152 Irr(2)%mat(:,:,8) = RESHAPE( (/1.0/), (/1, 1/) ) 153 Irr(2)%mat(:,:,9) = RESHAPE( (/1.0/), (/1, 1/) ) 154 Irr(2)%mat(:,:,10) = RESHAPE( (/1.0/), (/1, 1/) ) 155 Irr(2)%mat(:,:,11) = RESHAPE( (/1.0/), (/1, 1/) ) 156 Irr(2)%mat(:,:,12) = RESHAPE( (/1.0/), (/1, 1/) ) 157 Irr(2)%mat(:,:,13) = RESHAPE( (/-1.0/), (/1, 1/) ) 158 Irr(2)%mat(:,:,14) = RESHAPE( (/-1.0/), (/1, 1/) ) 159 Irr(2)%mat(:,:,15) = RESHAPE( (/-1.0/), (/1, 1/) ) 160 Irr(2)%mat(:,:,16) = RESHAPE( (/-1.0/), (/1, 1/) ) 161 Irr(2)%mat(:,:,17) = RESHAPE( (/-1.0/), (/1, 1/) ) 162 Irr(2)%mat(:,:,18) = RESHAPE( (/-1.0/), (/1, 1/) ) 163 Irr(2)%mat(:,:,19) = RESHAPE( (/-1.0/), (/1, 1/) ) 164 Irr(2)%mat(:,:,20) = RESHAPE( (/-1.0/), (/1, 1/) ) 165 Irr(2)%mat(:,:,21) = RESHAPE( (/-1.0/), (/1, 1/) ) 166 Irr(2)%mat(:,:,22) = RESHAPE( (/-1.0/), (/1, 1/) ) 167 Irr(2)%mat(:,:,23) = RESHAPE( (/-1.0/), (/1, 1/) ) 168 Irr(2)%mat(:,:,24) = RESHAPE( (/-1.0/), (/1, 1/) ) 169 170 Irr(3)%name = "E" 171 Irr(3)%dim = 2 172 Irr(3)%nsym = 24 173 ABI_MALLOC(Irr(3)%mat, (2,2,24)) 174 Irr(3)%mat(:,:,1) = RESHAPE( (/1.0, 0.0, 0.0, 1.0/), (/2, 2/) ) 175 Irr(3)%mat(:,:,2) = RESHAPE( (/1.0, 0.0, 0.0, 1.0/), (/2, 2/) ) 176 Irr(3)%mat(:,:,3) = RESHAPE( (/1.0, 0.0, 0.0, 1.0/), (/2, 2/) ) 177 Irr(3)%mat(:,:,4) = RESHAPE( (/1.0, 0.0, 0.0, 1.0/), (/2, 2/) ) 178 Irr(3)%mat(:,:,5) = RESHAPE( (/-0.5+0.86603*j, 0*j, 0*j, -0.5-0.86603*j/), (/2, 2/) ) 179 Irr(3)%mat(:,:,6) = RESHAPE( (/-0.5+0.86603*j, 0*j, 0*j, -0.5-0.86603*j/), (/2, 2/) ) 180 Irr(3)%mat(:,:,7) = RESHAPE( (/-0.5+0.86603*j, 0*j, 0*j, -0.5-0.86603*j/), (/2, 2/) ) 181 Irr(3)%mat(:,:,8) = RESHAPE( (/-0.5+0.86603*j, 0*j, 0*j, -0.5-0.86603*j/), (/2, 2/) ) 182 Irr(3)%mat(:,:,9) = RESHAPE( (/-0.5-0.86603*j, 0*j, 0*j, -0.5+0.86603*j/), (/2, 2/) ) 183 Irr(3)%mat(:,:,10) = RESHAPE( (/-0.5-0.86603*j, 0*j, 0*j, -0.5+0.86603*j/), (/2, 2/) ) 184 Irr(3)%mat(:,:,11) = RESHAPE( (/-0.5-0.86603*j, 0*j, 0*j, -0.5+0.86603*j/), (/2, 2/) ) 185 Irr(3)%mat(:,:,12) = RESHAPE( (/-0.5-0.86603*j, 0*j, 0*j, -0.5+0.86603*j/), (/2, 2/) ) 186 Irr(3)%mat(:,:,13) = RESHAPE( (/0.0, 1.0, 1.0, 0.0/), (/2, 2/) ) 187 Irr(3)%mat(:,:,14) = RESHAPE( (/0.0, 1.0, 1.0, 0.0/), (/2, 2/) ) 188 Irr(3)%mat(:,:,15) = RESHAPE( (/0*j, -0.5+0.86603*j, -0.5-0.86603*j, 0*j/), (/2, 2/) ) 189 Irr(3)%mat(:,:,16) = RESHAPE( (/0*j, -0.5+0.86603*j, -0.5-0.86603*j, 0*j/), (/2, 2/) ) 190 Irr(3)%mat(:,:,17) = RESHAPE( (/0*j, -0.5-0.86603*j, -0.5+0.86603*j, 0*j/), (/2, 2/) ) 191 Irr(3)%mat(:,:,18) = RESHAPE( (/0*j, -0.5-0.86603*j, -0.5+0.86603*j, 0*j/), (/2, 2/) ) 192 Irr(3)%mat(:,:,19) = RESHAPE( (/0.0, 1.0, 1.0, 0.0/), (/2, 2/) ) 193 Irr(3)%mat(:,:,20) = RESHAPE( (/0.0, 1.0, 1.0, 0.0/), (/2, 2/) ) 194 Irr(3)%mat(:,:,21) = RESHAPE( (/0*j, -0.5+0.86603*j, -0.5-0.86603*j, 0*j/), (/2, 2/) ) 195 Irr(3)%mat(:,:,22) = RESHAPE( (/0*j, -0.5+0.86603*j, -0.5-0.86603*j, 0*j/), (/2, 2/) ) 196 Irr(3)%mat(:,:,23) = RESHAPE( (/0*j, -0.5-0.86603*j, -0.5+0.86603*j, 0*j/), (/2, 2/) ) 197 Irr(3)%mat(:,:,24) = RESHAPE( (/0*j, -0.5-0.86603*j, -0.5+0.86603*j, 0*j/), (/2, 2/) ) 198 199 Irr(4)%name = "T2" 200 Irr(4)%dim = 3 201 Irr(4)%nsym = 24 202 ABI_MALLOC(Irr(4)%mat, (3,3,24)) 203 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/) ) 204 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/) ) 205 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/) ) 206 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/) ) 207 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/) ) 208 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/) ) 209 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/) ) 210 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/) ) 211 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/) ) 212 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/) ) 213 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/) ) 214 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/) ) 215 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/) ) 216 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/) ) 217 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/) ) 218 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/) ) 219 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/) ) 220 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/) ) 221 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/) ) 222 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/) ) 223 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/) ) 224 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/) ) 225 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/) ) 226 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/) ) 227 228 Irr(5)%name = "T1" 229 Irr(5)%dim = 3 230 Irr(5)%nsym = 24 231 ABI_MALLOC(Irr(5)%mat, (3,3,24)) 232 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/) ) 233 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/) ) 234 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/) ) 235 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/) ) 236 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/) ) 237 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/) ) 238 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/) ) 239 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/) ) 240 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/) ) 241 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/) ) 242 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/) ) 243 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/) ) 244 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/) ) 245 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/) ) 246 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/) ) 247 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/) ) 248 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/) ) 249 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/) ) 250 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/) ) 251 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/) ) 252 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/) ) 253 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/) ) 254 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/) ) 255 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/) ) 256 257 RETURN 258 if (.FALSE.) write(std_out,*) j 259 end subroutine ptg_O