TABLE OF CONTENTS


ABINIT/ptg_D6h [ Functions ]

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NAME

 ptg_D6h

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  D6h (6/mmm)
 33 
 34 #if defined HAVE_CONFIG_H
 35 #include "config.h"
 36 #endif
 37 
 38 #include "abi_common.h"
 39 
 40 
 41 module m_ptg_D6h
 42 contains
 43 !!**
 44 
 45 
 46 
 47  subroutine ptg_D6h (nsym,nclass,sym,class_ids,class_names,Irr)
 48 
 49 #ifdef FC_INTEL
 50 !DEC$ NOOPTIMIZE
 51 #endif
 52 
 53  use defs_basis
 54  use m_abicore
 55  use m_defs_ptgroups,  only : irrep_t
 56 
 57 !This section has been created automatically by the script Abilint (TD).
 58 !Do not modify the following lines by hand.
 59 #undef ABI_FUNC
 60 #define ABI_FUNC 'ptg_D6h'
 61 !End of the abilint section
 62 
 63  implicit none
 64 !Arguments ------------------------------------
 65  integer,intent(out) :: nclass,nsym 
 66  !arrays
 67  integer,allocatable,intent(out) :: sym(:,:,:), class_ids(:,:)
 68  character(len=5),allocatable,intent(out) :: class_names(:)
 69  type(irrep_t),allocatable,intent(out) :: Irr(:)
 70  !Local variables-------------------------------
 71  complex(dpc) :: j=(0.0_dp,1.0_dp) 
 72  ! ********************************************************************************
 73 ! List of symmetries packed in classes
 74  nsym = 24
 75  ABI_MALLOC(sym, (3,3,nsym))
 76  sym(:,:,1) = RESHAPE( (/1, 0, 0, 0, 1, 0, 0, 0, 1/) ,(/3,3/) )
 77  sym(:,:,2) = RESHAPE( (/0, 1, 0, -1, -1, 0, 0, 0, 1/) ,(/3,3/) )
 78  sym(:,:,3) = RESHAPE( (/-1, -1, 0, 1, 0, 0, 0, 0, 1/) ,(/3,3/) )
 79  sym(:,:,4) = RESHAPE( (/-1, 0, 0, 0, -1, 0, 0, 0, 1/) ,(/3,3/) )
 80  sym(:,:,5) = RESHAPE( (/0, -1, 0, 1, 1, 0, 0, 0, 1/) ,(/3,3/) )
 81  sym(:,:,6) = RESHAPE( (/1, 1, 0, -1, 0, 0, 0, 0, 1/) ,(/3,3/) )
 82  sym(:,:,7) = RESHAPE( (/0, 1, 0, 1, 0, 0, 0, 0, -1/) ,(/3,3/) )
 83  sym(:,:,8) = RESHAPE( (/1, 0, 0, -1, -1, 0, 0, 0, -1/) ,(/3,3/) )
 84  sym(:,:,9) = RESHAPE( (/-1, -1, 0, 0, 1, 0, 0, 0, -1/) ,(/3,3/) )
 85  sym(:,:,10) = RESHAPE( (/0, -1, 0, -1, 0, 0, 0, 0, -1/) ,(/3,3/) )
 86  sym(:,:,11) = RESHAPE( (/-1, 0, 0, 1, 1, 0, 0, 0, -1/) ,(/3,3/) )
 87  sym(:,:,12) = RESHAPE( (/1, 1, 0, 0, -1, 0, 0, 0, -1/) ,(/3,3/) )
 88  sym(:,:,13) = RESHAPE( (/-1, 0, 0, 0, -1, 0, 0, 0, -1/) ,(/3,3/) )
 89  sym(:,:,14) = RESHAPE( (/0, -1, 0, 1, 1, 0, 0, 0, -1/) ,(/3,3/) )
 90  sym(:,:,15) = RESHAPE( (/1, 1, 0, -1, 0, 0, 0, 0, -1/) ,(/3,3/) )
 91  sym(:,:,16) = RESHAPE( (/1, 0, 0, 0, 1, 0, 0, 0, -1/) ,(/3,3/) )
 92  sym(:,:,17) = RESHAPE( (/0, 1, 0, -1, -1, 0, 0, 0, -1/) ,(/3,3/) )
 93  sym(:,:,18) = RESHAPE( (/-1, -1, 0, 1, 0, 0, 0, 0, -1/) ,(/3,3/) )
 94  sym(:,:,19) = RESHAPE( (/0, -1, 0, -1, 0, 0, 0, 0, 1/) ,(/3,3/) )
 95  sym(:,:,20) = RESHAPE( (/-1, 0, 0, 1, 1, 0, 0, 0, 1/) ,(/3,3/) )
 96  sym(:,:,21) = RESHAPE( (/1, 1, 0, 0, -1, 0, 0, 0, 1/) ,(/3,3/) )
 97  sym(:,:,22) = RESHAPE( (/0, 1, 0, 1, 0, 0, 0, 0, 1/) ,(/3,3/) )
 98  sym(:,:,23) = RESHAPE( (/1, 0, 0, -1, -1, 0, 0, 0, 1/) ,(/3,3/) )
 99  sym(:,:,24) = RESHAPE( (/-1, -1, 0, 0, 1, 0, 0, 0, 1/) ,(/3,3/) )
100 
101 ! Number of classes and corresponding indeces
102  nclass = 12
103  ABI_MALLOC(class_ids, (2,nclass))
104  class_ids(1,1) = 1
105  class_ids(2,1) = 1
106  class_ids(1,2) = 2
107  class_ids(2,2) = 3
108  class_ids(1,3) = 4
109  class_ids(2,3) = 4
110  class_ids(1,4) = 5
111  class_ids(2,4) = 6
112  class_ids(1,5) = 7
113  class_ids(2,5) = 9
114  class_ids(1,6) = 10
115  class_ids(2,6) = 12
116  class_ids(1,7) = 13
117  class_ids(2,7) = 13
118  class_ids(1,8) = 14
119  class_ids(2,8) = 15
120  class_ids(1,9) = 16
121  class_ids(2,9) = 16
122  class_ids(1,10) = 17
123  class_ids(2,10) = 18
124  class_ids(1,11) = 19
125  class_ids(2,11) = 21
126  class_ids(1,12) = 22
127  class_ids(2,12) = 24
128 
129 ABI_MALLOC(class_names,(12))
130  class_names(1) = "1+" 
131  class_names(2) = "3+" 
132  class_names(3) = "2+" 
133  class_names(4) = "6+" 
134  class_names(5) = "2+" 
135  class_names(6) = "2+" 
136  class_names(7) = "-2-" 
137  class_names(8) = "-6-" 
138  class_names(9) = "-2+" 
139  class_names(10) = "-6+" 
140  class_names(11) = "-2+" 
141  class_names(12) = "-2+" 
142 
143 ! List of irreducible representations.
144  ABI_DT_MALLOC(Irr, (12))
145  Irr(1)%name = "A1g"
146  Irr(1)%dim = 1
147  Irr(1)%nsym = 24
148  ABI_MALLOC(Irr(1)%mat, (1,1,24))
149  Irr(1)%mat(:,:,1) =  RESHAPE( (/1.0/), (/1, 1/) )
150  Irr(1)%mat(:,:,2) =  RESHAPE( (/1.0/), (/1, 1/) )
151  Irr(1)%mat(:,:,3) =  RESHAPE( (/1.0/), (/1, 1/) )
152  Irr(1)%mat(:,:,4) =  RESHAPE( (/1.0/), (/1, 1/) )
153  Irr(1)%mat(:,:,5) =  RESHAPE( (/1.0/), (/1, 1/) )
154  Irr(1)%mat(:,:,6) =  RESHAPE( (/1.0/), (/1, 1/) )
155  Irr(1)%mat(:,:,7) =  RESHAPE( (/1.0/), (/1, 1/) )
156  Irr(1)%mat(:,:,8) =  RESHAPE( (/1.0/), (/1, 1/) )
157  Irr(1)%mat(:,:,9) =  RESHAPE( (/1.0/), (/1, 1/) )
158  Irr(1)%mat(:,:,10) =  RESHAPE( (/1.0/), (/1, 1/) )
159  Irr(1)%mat(:,:,11) =  RESHAPE( (/1.0/), (/1, 1/) )
160  Irr(1)%mat(:,:,12) =  RESHAPE( (/1.0/), (/1, 1/) )
161  Irr(1)%mat(:,:,13) =  RESHAPE( (/1.0/), (/1, 1/) )
162  Irr(1)%mat(:,:,14) =  RESHAPE( (/1.0/), (/1, 1/) )
163  Irr(1)%mat(:,:,15) =  RESHAPE( (/1.0/), (/1, 1/) )
164  Irr(1)%mat(:,:,16) =  RESHAPE( (/1.0/), (/1, 1/) )
165  Irr(1)%mat(:,:,17) =  RESHAPE( (/1.0/), (/1, 1/) )
166  Irr(1)%mat(:,:,18) =  RESHAPE( (/1.0/), (/1, 1/) )
167  Irr(1)%mat(:,:,19) =  RESHAPE( (/1.0/), (/1, 1/) )
168  Irr(1)%mat(:,:,20) =  RESHAPE( (/1.0/), (/1, 1/) )
169  Irr(1)%mat(:,:,21) =  RESHAPE( (/1.0/), (/1, 1/) )
170  Irr(1)%mat(:,:,22) =  RESHAPE( (/1.0/), (/1, 1/) )
171  Irr(1)%mat(:,:,23) =  RESHAPE( (/1.0/), (/1, 1/) )
172  Irr(1)%mat(:,:,24) =  RESHAPE( (/1.0/), (/1, 1/) )
173 
174  Irr(2)%name = "A1u"
175  Irr(2)%dim = 1
176  Irr(2)%nsym = 24
177  ABI_MALLOC(Irr(2)%mat, (1,1,24))
178  Irr(2)%mat(:,:,1) =  RESHAPE( (/1.0/), (/1, 1/) )
179  Irr(2)%mat(:,:,2) =  RESHAPE( (/1.0/), (/1, 1/) )
180  Irr(2)%mat(:,:,3) =  RESHAPE( (/1.0/), (/1, 1/) )
181  Irr(2)%mat(:,:,4) =  RESHAPE( (/1.0/), (/1, 1/) )
182  Irr(2)%mat(:,:,5) =  RESHAPE( (/1.0/), (/1, 1/) )
183  Irr(2)%mat(:,:,6) =  RESHAPE( (/1.0/), (/1, 1/) )
184  Irr(2)%mat(:,:,7) =  RESHAPE( (/1.0/), (/1, 1/) )
185  Irr(2)%mat(:,:,8) =  RESHAPE( (/1.0/), (/1, 1/) )
186  Irr(2)%mat(:,:,9) =  RESHAPE( (/1.0/), (/1, 1/) )
187  Irr(2)%mat(:,:,10) =  RESHAPE( (/1.0/), (/1, 1/) )
188  Irr(2)%mat(:,:,11) =  RESHAPE( (/1.0/), (/1, 1/) )
189  Irr(2)%mat(:,:,12) =  RESHAPE( (/1.0/), (/1, 1/) )
190  Irr(2)%mat(:,:,13) =  RESHAPE( (/-1.0/), (/1, 1/) )
191  Irr(2)%mat(:,:,14) =  RESHAPE( (/-1.0/), (/1, 1/) )
192  Irr(2)%mat(:,:,15) =  RESHAPE( (/-1.0/), (/1, 1/) )
193  Irr(2)%mat(:,:,16) =  RESHAPE( (/-1.0/), (/1, 1/) )
194  Irr(2)%mat(:,:,17) =  RESHAPE( (/-1.0/), (/1, 1/) )
195  Irr(2)%mat(:,:,18) =  RESHAPE( (/-1.0/), (/1, 1/) )
196  Irr(2)%mat(:,:,19) =  RESHAPE( (/-1.0/), (/1, 1/) )
197  Irr(2)%mat(:,:,20) =  RESHAPE( (/-1.0/), (/1, 1/) )
198  Irr(2)%mat(:,:,21) =  RESHAPE( (/-1.0/), (/1, 1/) )
199  Irr(2)%mat(:,:,22) =  RESHAPE( (/-1.0/), (/1, 1/) )
200  Irr(2)%mat(:,:,23) =  RESHAPE( (/-1.0/), (/1, 1/) )
201  Irr(2)%mat(:,:,24) =  RESHAPE( (/-1.0/), (/1, 1/) )
202 
203  Irr(3)%name = "A2g"
204  Irr(3)%dim = 1
205  Irr(3)%nsym = 24
206  ABI_MALLOC(Irr(3)%mat, (1,1,24))
207  Irr(3)%mat(:,:,1) =  RESHAPE( (/1.0/), (/1, 1/) )
208  Irr(3)%mat(:,:,2) =  RESHAPE( (/1.0/), (/1, 1/) )
209  Irr(3)%mat(:,:,3) =  RESHAPE( (/1.0/), (/1, 1/) )
210  Irr(3)%mat(:,:,4) =  RESHAPE( (/1.0/), (/1, 1/) )
211  Irr(3)%mat(:,:,5) =  RESHAPE( (/1.0/), (/1, 1/) )
212  Irr(3)%mat(:,:,6) =  RESHAPE( (/1.0/), (/1, 1/) )
213  Irr(3)%mat(:,:,7) =  RESHAPE( (/-1.0/), (/1, 1/) )
214  Irr(3)%mat(:,:,8) =  RESHAPE( (/-1.0/), (/1, 1/) )
215  Irr(3)%mat(:,:,9) =  RESHAPE( (/-1.0/), (/1, 1/) )
216  Irr(3)%mat(:,:,10) =  RESHAPE( (/-1.0/), (/1, 1/) )
217  Irr(3)%mat(:,:,11) =  RESHAPE( (/-1.0/), (/1, 1/) )
218  Irr(3)%mat(:,:,12) =  RESHAPE( (/-1.0/), (/1, 1/) )
219  Irr(3)%mat(:,:,13) =  RESHAPE( (/1.0/), (/1, 1/) )
220  Irr(3)%mat(:,:,14) =  RESHAPE( (/1.0/), (/1, 1/) )
221  Irr(3)%mat(:,:,15) =  RESHAPE( (/1.0/), (/1, 1/) )
222  Irr(3)%mat(:,:,16) =  RESHAPE( (/1.0/), (/1, 1/) )
223  Irr(3)%mat(:,:,17) =  RESHAPE( (/1.0/), (/1, 1/) )
224  Irr(3)%mat(:,:,18) =  RESHAPE( (/1.0/), (/1, 1/) )
225  Irr(3)%mat(:,:,19) =  RESHAPE( (/-1.0/), (/1, 1/) )
226  Irr(3)%mat(:,:,20) =  RESHAPE( (/-1.0/), (/1, 1/) )
227  Irr(3)%mat(:,:,21) =  RESHAPE( (/-1.0/), (/1, 1/) )
228  Irr(3)%mat(:,:,22) =  RESHAPE( (/-1.0/), (/1, 1/) )
229  Irr(3)%mat(:,:,23) =  RESHAPE( (/-1.0/), (/1, 1/) )
230  Irr(3)%mat(:,:,24) =  RESHAPE( (/-1.0/), (/1, 1/) )
231 
232  Irr(4)%name = "A2u"
233  Irr(4)%dim = 1
234  Irr(4)%nsym = 24
235  ABI_MALLOC(Irr(4)%mat, (1,1,24))
236  Irr(4)%mat(:,:,1) =  RESHAPE( (/1.0/), (/1, 1/) )
237  Irr(4)%mat(:,:,2) =  RESHAPE( (/1.0/), (/1, 1/) )
238  Irr(4)%mat(:,:,3) =  RESHAPE( (/1.0/), (/1, 1/) )
239  Irr(4)%mat(:,:,4) =  RESHAPE( (/1.0/), (/1, 1/) )
240  Irr(4)%mat(:,:,5) =  RESHAPE( (/1.0/), (/1, 1/) )
241  Irr(4)%mat(:,:,6) =  RESHAPE( (/1.0/), (/1, 1/) )
242  Irr(4)%mat(:,:,7) =  RESHAPE( (/-1.0/), (/1, 1/) )
243  Irr(4)%mat(:,:,8) =  RESHAPE( (/-1.0/), (/1, 1/) )
244  Irr(4)%mat(:,:,9) =  RESHAPE( (/-1.0/), (/1, 1/) )
245  Irr(4)%mat(:,:,10) =  RESHAPE( (/-1.0/), (/1, 1/) )
246  Irr(4)%mat(:,:,11) =  RESHAPE( (/-1.0/), (/1, 1/) )
247  Irr(4)%mat(:,:,12) =  RESHAPE( (/-1.0/), (/1, 1/) )
248  Irr(4)%mat(:,:,13) =  RESHAPE( (/-1.0/), (/1, 1/) )
249  Irr(4)%mat(:,:,14) =  RESHAPE( (/-1.0/), (/1, 1/) )
250  Irr(4)%mat(:,:,15) =  RESHAPE( (/-1.0/), (/1, 1/) )
251  Irr(4)%mat(:,:,16) =  RESHAPE( (/-1.0/), (/1, 1/) )
252  Irr(4)%mat(:,:,17) =  RESHAPE( (/-1.0/), (/1, 1/) )
253  Irr(4)%mat(:,:,18) =  RESHAPE( (/-1.0/), (/1, 1/) )
254  Irr(4)%mat(:,:,19) =  RESHAPE( (/1.0/), (/1, 1/) )
255  Irr(4)%mat(:,:,20) =  RESHAPE( (/1.0/), (/1, 1/) )
256  Irr(4)%mat(:,:,21) =  RESHAPE( (/1.0/), (/1, 1/) )
257  Irr(4)%mat(:,:,22) =  RESHAPE( (/1.0/), (/1, 1/) )
258  Irr(4)%mat(:,:,23) =  RESHAPE( (/1.0/), (/1, 1/) )
259  Irr(4)%mat(:,:,24) =  RESHAPE( (/1.0/), (/1, 1/) )
260 
261  Irr(5)%name = "B1g"
262  Irr(5)%dim = 1
263  Irr(5)%nsym = 24
264  ABI_MALLOC(Irr(5)%mat, (1,1,24))
265  Irr(5)%mat(:,:,1) =  RESHAPE( (/1.0/), (/1, 1/) )
266  Irr(5)%mat(:,:,2) =  RESHAPE( (/1.0/), (/1, 1/) )
267  Irr(5)%mat(:,:,3) =  RESHAPE( (/1.0/), (/1, 1/) )
268  Irr(5)%mat(:,:,4) =  RESHAPE( (/-1.0/), (/1, 1/) )
269  Irr(5)%mat(:,:,5) =  RESHAPE( (/-1.0/), (/1, 1/) )
270  Irr(5)%mat(:,:,6) =  RESHAPE( (/-1.0/), (/1, 1/) )
271  Irr(5)%mat(:,:,7) =  RESHAPE( (/1.0/), (/1, 1/) )
272  Irr(5)%mat(:,:,8) =  RESHAPE( (/1.0/), (/1, 1/) )
273  Irr(5)%mat(:,:,9) =  RESHAPE( (/1.0/), (/1, 1/) )
274  Irr(5)%mat(:,:,10) =  RESHAPE( (/-1.0/), (/1, 1/) )
275  Irr(5)%mat(:,:,11) =  RESHAPE( (/-1.0/), (/1, 1/) )
276  Irr(5)%mat(:,:,12) =  RESHAPE( (/-1.0/), (/1, 1/) )
277  Irr(5)%mat(:,:,13) =  RESHAPE( (/1.0/), (/1, 1/) )
278  Irr(5)%mat(:,:,14) =  RESHAPE( (/1.0/), (/1, 1/) )
279  Irr(5)%mat(:,:,15) =  RESHAPE( (/1.0/), (/1, 1/) )
280  Irr(5)%mat(:,:,16) =  RESHAPE( (/-1.0/), (/1, 1/) )
281  Irr(5)%mat(:,:,17) =  RESHAPE( (/-1.0/), (/1, 1/) )
282  Irr(5)%mat(:,:,18) =  RESHAPE( (/-1.0/), (/1, 1/) )
283  Irr(5)%mat(:,:,19) =  RESHAPE( (/1.0/), (/1, 1/) )
284  Irr(5)%mat(:,:,20) =  RESHAPE( (/1.0/), (/1, 1/) )
285  Irr(5)%mat(:,:,21) =  RESHAPE( (/1.0/), (/1, 1/) )
286  Irr(5)%mat(:,:,22) =  RESHAPE( (/-1.0/), (/1, 1/) )
287  Irr(5)%mat(:,:,23) =  RESHAPE( (/-1.0/), (/1, 1/) )
288  Irr(5)%mat(:,:,24) =  RESHAPE( (/-1.0/), (/1, 1/) )
289 
290  Irr(6)%name = "B1u"
291  Irr(6)%dim = 1
292  Irr(6)%nsym = 24
293  ABI_MALLOC(Irr(6)%mat, (1,1,24))
294  Irr(6)%mat(:,:,1) =  RESHAPE( (/1.0/), (/1, 1/) )
295  Irr(6)%mat(:,:,2) =  RESHAPE( (/1.0/), (/1, 1/) )
296  Irr(6)%mat(:,:,3) =  RESHAPE( (/1.0/), (/1, 1/) )
297  Irr(6)%mat(:,:,4) =  RESHAPE( (/-1.0/), (/1, 1/) )
298  Irr(6)%mat(:,:,5) =  RESHAPE( (/-1.0/), (/1, 1/) )
299  Irr(6)%mat(:,:,6) =  RESHAPE( (/-1.0/), (/1, 1/) )
300  Irr(6)%mat(:,:,7) =  RESHAPE( (/1.0/), (/1, 1/) )
301  Irr(6)%mat(:,:,8) =  RESHAPE( (/1.0/), (/1, 1/) )
302  Irr(6)%mat(:,:,9) =  RESHAPE( (/1.0/), (/1, 1/) )
303  Irr(6)%mat(:,:,10) =  RESHAPE( (/-1.0/), (/1, 1/) )
304  Irr(6)%mat(:,:,11) =  RESHAPE( (/-1.0/), (/1, 1/) )
305  Irr(6)%mat(:,:,12) =  RESHAPE( (/-1.0/), (/1, 1/) )
306  Irr(6)%mat(:,:,13) =  RESHAPE( (/-1.0/), (/1, 1/) )
307  Irr(6)%mat(:,:,14) =  RESHAPE( (/-1.0/), (/1, 1/) )
308  Irr(6)%mat(:,:,15) =  RESHAPE( (/-1.0/), (/1, 1/) )
309  Irr(6)%mat(:,:,16) =  RESHAPE( (/1.0/), (/1, 1/) )
310  Irr(6)%mat(:,:,17) =  RESHAPE( (/1.0/), (/1, 1/) )
311  Irr(6)%mat(:,:,18) =  RESHAPE( (/1.0/), (/1, 1/) )
312  Irr(6)%mat(:,:,19) =  RESHAPE( (/-1.0/), (/1, 1/) )
313  Irr(6)%mat(:,:,20) =  RESHAPE( (/-1.0/), (/1, 1/) )
314  Irr(6)%mat(:,:,21) =  RESHAPE( (/-1.0/), (/1, 1/) )
315  Irr(6)%mat(:,:,22) =  RESHAPE( (/1.0/), (/1, 1/) )
316  Irr(6)%mat(:,:,23) =  RESHAPE( (/1.0/), (/1, 1/) )
317  Irr(6)%mat(:,:,24) =  RESHAPE( (/1.0/), (/1, 1/) )
318 
319  Irr(7)%name = "B2g"
320  Irr(7)%dim = 1
321  Irr(7)%nsym = 24
322  ABI_MALLOC(Irr(7)%mat, (1,1,24))
323  Irr(7)%mat(:,:,1) =  RESHAPE( (/1.0/), (/1, 1/) )
324  Irr(7)%mat(:,:,2) =  RESHAPE( (/1.0/), (/1, 1/) )
325  Irr(7)%mat(:,:,3) =  RESHAPE( (/1.0/), (/1, 1/) )
326  Irr(7)%mat(:,:,4) =  RESHAPE( (/-1.0/), (/1, 1/) )
327  Irr(7)%mat(:,:,5) =  RESHAPE( (/-1.0/), (/1, 1/) )
328  Irr(7)%mat(:,:,6) =  RESHAPE( (/-1.0/), (/1, 1/) )
329  Irr(7)%mat(:,:,7) =  RESHAPE( (/-1.0/), (/1, 1/) )
330  Irr(7)%mat(:,:,8) =  RESHAPE( (/-1.0/), (/1, 1/) )
331  Irr(7)%mat(:,:,9) =  RESHAPE( (/-1.0/), (/1, 1/) )
332  Irr(7)%mat(:,:,10) =  RESHAPE( (/1.0/), (/1, 1/) )
333  Irr(7)%mat(:,:,11) =  RESHAPE( (/1.0/), (/1, 1/) )
334  Irr(7)%mat(:,:,12) =  RESHAPE( (/1.0/), (/1, 1/) )
335  Irr(7)%mat(:,:,13) =  RESHAPE( (/1.0/), (/1, 1/) )
336  Irr(7)%mat(:,:,14) =  RESHAPE( (/1.0/), (/1, 1/) )
337  Irr(7)%mat(:,:,15) =  RESHAPE( (/1.0/), (/1, 1/) )
338  Irr(7)%mat(:,:,16) =  RESHAPE( (/-1.0/), (/1, 1/) )
339  Irr(7)%mat(:,:,17) =  RESHAPE( (/-1.0/), (/1, 1/) )
340  Irr(7)%mat(:,:,18) =  RESHAPE( (/-1.0/), (/1, 1/) )
341  Irr(7)%mat(:,:,19) =  RESHAPE( (/-1.0/), (/1, 1/) )
342  Irr(7)%mat(:,:,20) =  RESHAPE( (/-1.0/), (/1, 1/) )
343  Irr(7)%mat(:,:,21) =  RESHAPE( (/-1.0/), (/1, 1/) )
344  Irr(7)%mat(:,:,22) =  RESHAPE( (/1.0/), (/1, 1/) )
345  Irr(7)%mat(:,:,23) =  RESHAPE( (/1.0/), (/1, 1/) )
346  Irr(7)%mat(:,:,24) =  RESHAPE( (/1.0/), (/1, 1/) )
347 
348  Irr(8)%name = "B2u"
349  Irr(8)%dim = 1
350  Irr(8)%nsym = 24
351  ABI_MALLOC(Irr(8)%mat, (1,1,24))
352  Irr(8)%mat(:,:,1) =  RESHAPE( (/1.0/), (/1, 1/) )
353  Irr(8)%mat(:,:,2) =  RESHAPE( (/1.0/), (/1, 1/) )
354  Irr(8)%mat(:,:,3) =  RESHAPE( (/1.0/), (/1, 1/) )
355  Irr(8)%mat(:,:,4) =  RESHAPE( (/-1.0/), (/1, 1/) )
356  Irr(8)%mat(:,:,5) =  RESHAPE( (/-1.0/), (/1, 1/) )
357  Irr(8)%mat(:,:,6) =  RESHAPE( (/-1.0/), (/1, 1/) )
358  Irr(8)%mat(:,:,7) =  RESHAPE( (/-1.0/), (/1, 1/) )
359  Irr(8)%mat(:,:,8) =  RESHAPE( (/-1.0/), (/1, 1/) )
360  Irr(8)%mat(:,:,9) =  RESHAPE( (/-1.0/), (/1, 1/) )
361  Irr(8)%mat(:,:,10) =  RESHAPE( (/1.0/), (/1, 1/) )
362  Irr(8)%mat(:,:,11) =  RESHAPE( (/1.0/), (/1, 1/) )
363  Irr(8)%mat(:,:,12) =  RESHAPE( (/1.0/), (/1, 1/) )
364  Irr(8)%mat(:,:,13) =  RESHAPE( (/-1.0/), (/1, 1/) )
365  Irr(8)%mat(:,:,14) =  RESHAPE( (/-1.0/), (/1, 1/) )
366  Irr(8)%mat(:,:,15) =  RESHAPE( (/-1.0/), (/1, 1/) )
367  Irr(8)%mat(:,:,16) =  RESHAPE( (/1.0/), (/1, 1/) )
368  Irr(8)%mat(:,:,17) =  RESHAPE( (/1.0/), (/1, 1/) )
369  Irr(8)%mat(:,:,18) =  RESHAPE( (/1.0/), (/1, 1/) )
370  Irr(8)%mat(:,:,19) =  RESHAPE( (/1.0/), (/1, 1/) )
371  Irr(8)%mat(:,:,20) =  RESHAPE( (/1.0/), (/1, 1/) )
372  Irr(8)%mat(:,:,21) =  RESHAPE( (/1.0/), (/1, 1/) )
373  Irr(8)%mat(:,:,22) =  RESHAPE( (/-1.0/), (/1, 1/) )
374  Irr(8)%mat(:,:,23) =  RESHAPE( (/-1.0/), (/1, 1/) )
375  Irr(8)%mat(:,:,24) =  RESHAPE( (/-1.0/), (/1, 1/) )
376 
377  Irr(9)%name = "E2u"
378  Irr(9)%dim = 2
379  Irr(9)%nsym = 24
380  ABI_MALLOC(Irr(9)%mat, (2,2,24))
381  Irr(9)%mat(:,:,1) =  RESHAPE( (/1.0, 0.0, 0.0, 1.0/), (/2, 2/) )
382  Irr(9)%mat(:,:,2) =  RESHAPE( (/-0.5+0.86603*j, 0*j, 0*j, -0.5-0.86603*j/), (/2, 2/) )
383  Irr(9)%mat(:,:,3) =  RESHAPE( (/-0.5-0.86603*j, 0*j, 0*j, -0.5+0.86603*j/), (/2, 2/) )
384  Irr(9)%mat(:,:,4) =  RESHAPE( (/1.0, 0.0, 0.0, 1.0/), (/2, 2/) )
385  Irr(9)%mat(:,:,5) =  RESHAPE( (/-0.5+0.86603*j, 0*j, 0*j, -0.5-0.86603*j/), (/2, 2/) )
386  Irr(9)%mat(:,:,6) =  RESHAPE( (/-0.5-0.86603*j, 0*j, 0*j, -0.5+0.86603*j/), (/2, 2/) )
387  Irr(9)%mat(:,:,7) =  RESHAPE( (/0.0, 1.0, 1.0, 0.0/), (/2, 2/) )
388  Irr(9)%mat(:,:,8) =  RESHAPE( (/0*j, -0.5+0.86603*j, -0.5-0.86603*j, 0*j/), (/2, 2/) )
389  Irr(9)%mat(:,:,9) =  RESHAPE( (/0*j, -0.5-0.86603*j, -0.5+0.86603*j, 0*j/), (/2, 2/) )
390  Irr(9)%mat(:,:,10) =  RESHAPE( (/0.0, 1.0, 1.0, 0.0/), (/2, 2/) )
391  Irr(9)%mat(:,:,11) =  RESHAPE( (/0*j, -0.5+0.86603*j, -0.5-0.86603*j, 0*j/), (/2, 2/) )
392  Irr(9)%mat(:,:,12) =  RESHAPE( (/0*j, -0.5-0.86603*j, -0.5+0.86603*j, 0*j/), (/2, 2/) )
393  Irr(9)%mat(:,:,13) =  RESHAPE( (/-1.0, 0.0, 0.0, -1.0/), (/2, 2/) )
394  Irr(9)%mat(:,:,14) =  RESHAPE( (/0.5-0.86603*j, 0*j, 0*j, 0.5+0.86603*j/), (/2, 2/) )
395  Irr(9)%mat(:,:,15) =  RESHAPE( (/0.5+0.86603*j, 0*j, 0*j, 0.5-0.86603*j/), (/2, 2/) )
396  Irr(9)%mat(:,:,16) =  RESHAPE( (/-1.0, 0.0, 0.0, -1.0/), (/2, 2/) )
397  Irr(9)%mat(:,:,17) =  RESHAPE( (/0.5-0.86603*j, 0*j, 0*j, 0.5+0.86603*j/), (/2, 2/) )
398  Irr(9)%mat(:,:,18) =  RESHAPE( (/0.5+0.86603*j, 0*j, 0*j, 0.5-0.86603*j/), (/2, 2/) )
399  Irr(9)%mat(:,:,19) =  RESHAPE( (/0.0, -1.0, -1.0, 0.0/), (/2, 2/) )
400  Irr(9)%mat(:,:,20) =  RESHAPE( (/0*j, 0.5-0.86603*j, 0.5+0.86603*j, 0*j/), (/2, 2/) )
401  Irr(9)%mat(:,:,21) =  RESHAPE( (/0*j, 0.5+0.86603*j, 0.5-0.86603*j, 0*j/), (/2, 2/) )
402  Irr(9)%mat(:,:,22) =  RESHAPE( (/0.0, -1.0, -1.0, 0.0/), (/2, 2/) )
403  Irr(9)%mat(:,:,23) =  RESHAPE( (/0*j, 0.5-0.86603*j, 0.5+0.86603*j, 0*j/), (/2, 2/) )
404  Irr(9)%mat(:,:,24) =  RESHAPE( (/0*j, 0.5+0.86603*j, 0.5-0.86603*j, 0*j/), (/2, 2/) )
405 
406  Irr(10)%name = "E2g"
407  Irr(10)%dim = 2
408  Irr(10)%nsym = 24
409  ABI_MALLOC(Irr(10)%mat, (2,2,24))
410  Irr(10)%mat(:,:,1) =  RESHAPE( (/1.0, 0.0, 0.0, 1.0/), (/2, 2/) )
411  Irr(10)%mat(:,:,2) =  RESHAPE( (/-0.5+0.86603*j, 0*j, 0*j, -0.5-0.86603*j/), (/2, 2/) )
412  Irr(10)%mat(:,:,3) =  RESHAPE( (/-0.5-0.86603*j, 0*j, 0*j, -0.5+0.86603*j/), (/2, 2/) )
413  Irr(10)%mat(:,:,4) =  RESHAPE( (/1.0, 0.0, 0.0, 1.0/), (/2, 2/) )
414  Irr(10)%mat(:,:,5) =  RESHAPE( (/-0.5+0.86603*j, 0*j, 0*j, -0.5-0.86603*j/), (/2, 2/) )
415  Irr(10)%mat(:,:,6) =  RESHAPE( (/-0.5-0.86603*j, 0*j, 0*j, -0.5+0.86603*j/), (/2, 2/) )
416  Irr(10)%mat(:,:,7) =  RESHAPE( (/0.0, 1.0, 1.0, 0.0/), (/2, 2/) )
417  Irr(10)%mat(:,:,8) =  RESHAPE( (/0*j, -0.5+0.86603*j, -0.5-0.86603*j, 0*j/), (/2, 2/) )
418  Irr(10)%mat(:,:,9) =  RESHAPE( (/0*j, -0.5-0.86603*j, -0.5+0.86603*j, 0*j/), (/2, 2/) )
419  Irr(10)%mat(:,:,10) =  RESHAPE( (/0.0, 1.0, 1.0, 0.0/), (/2, 2/) )
420  Irr(10)%mat(:,:,11) =  RESHAPE( (/0*j, -0.5+0.86603*j, -0.5-0.86603*j, 0*j/), (/2, 2/) )
421  Irr(10)%mat(:,:,12) =  RESHAPE( (/0*j, -0.5-0.86603*j, -0.5+0.86603*j, 0*j/), (/2, 2/) )
422  Irr(10)%mat(:,:,13) =  RESHAPE( (/1.0, 0.0, 0.0, 1.0/), (/2, 2/) )
423  Irr(10)%mat(:,:,14) =  RESHAPE( (/-0.5+0.86603*j, 0*j, 0*j, -0.5-0.86603*j/), (/2, 2/) )
424  Irr(10)%mat(:,:,15) =  RESHAPE( (/-0.5-0.86603*j, 0*j, 0*j, -0.5+0.86603*j/), (/2, 2/) )
425  Irr(10)%mat(:,:,16) =  RESHAPE( (/1.0, 0.0, 0.0, 1.0/), (/2, 2/) )
426  Irr(10)%mat(:,:,17) =  RESHAPE( (/-0.5+0.86603*j, 0*j, 0*j, -0.5-0.86603*j/), (/2, 2/) )
427  Irr(10)%mat(:,:,18) =  RESHAPE( (/-0.5-0.86603*j, 0*j, 0*j, -0.5+0.86603*j/), (/2, 2/) )
428  Irr(10)%mat(:,:,19) =  RESHAPE( (/0.0, 1.0, 1.0, 0.0/), (/2, 2/) )
429  Irr(10)%mat(:,:,20) =  RESHAPE( (/0*j, -0.5+0.86603*j, -0.5-0.86603*j, 0*j/), (/2, 2/) )
430  Irr(10)%mat(:,:,21) =  RESHAPE( (/0*j, -0.5-0.86603*j, -0.5+0.86603*j, 0*j/), (/2, 2/) )
431  Irr(10)%mat(:,:,22) =  RESHAPE( (/0.0, 1.0, 1.0, 0.0/), (/2, 2/) )
432  Irr(10)%mat(:,:,23) =  RESHAPE( (/0*j, -0.5+0.86603*j, -0.5-0.86603*j, 0*j/), (/2, 2/) )
433  Irr(10)%mat(:,:,24) =  RESHAPE( (/0*j, -0.5-0.86603*j, -0.5+0.86603*j, 0*j/), (/2, 2/) )
434 
435  Irr(11)%name = "E1u"
436  Irr(11)%dim = 2
437  Irr(11)%nsym = 24
438  ABI_MALLOC(Irr(11)%mat, (2,2,24))
439  Irr(11)%mat(:,:,1) =  RESHAPE( (/1.0, 0.0, 0.0, 1.0/), (/2, 2/) )
440  Irr(11)%mat(:,:,2) =  RESHAPE( (/-0.5+0.86603*j, 0*j, 0*j, -0.5-0.86603*j/), (/2, 2/) )
441  Irr(11)%mat(:,:,3) =  RESHAPE( (/-0.5-0.86603*j, 0*j, 0*j, -0.5+0.86603*j/), (/2, 2/) )
442  Irr(11)%mat(:,:,4) =  RESHAPE( (/-1.0, 0.0, 0.0, -1.0/), (/2, 2/) )
443  Irr(11)%mat(:,:,5) =  RESHAPE( (/0.5-0.86603*j, 0*j, 0*j, 0.5+0.86603*j/), (/2, 2/) )
444  Irr(11)%mat(:,:,6) =  RESHAPE( (/0.5+0.86603*j, 0*j, 0*j, 0.5-0.86603*j/), (/2, 2/) )
445  Irr(11)%mat(:,:,7) =  RESHAPE( (/0.0, 1.0, 1.0, 0.0/), (/2, 2/) )
446  Irr(11)%mat(:,:,8) =  RESHAPE( (/0*j, -0.5+0.86603*j, -0.5-0.86603*j, 0*j/), (/2, 2/) )
447  Irr(11)%mat(:,:,9) =  RESHAPE( (/0*j, -0.5-0.86603*j, -0.5+0.86603*j, 0*j/), (/2, 2/) )
448  Irr(11)%mat(:,:,10) =  RESHAPE( (/0.0, -1.0, -1.0, 0.0/), (/2, 2/) )
449  Irr(11)%mat(:,:,11) =  RESHAPE( (/0*j, 0.5-0.86603*j, 0.5+0.86603*j, 0*j/), (/2, 2/) )
450  Irr(11)%mat(:,:,12) =  RESHAPE( (/0*j, 0.5+0.86603*j, 0.5-0.86603*j, 0*j/), (/2, 2/) )
451  Irr(11)%mat(:,:,13) =  RESHAPE( (/-1.0, 0.0, 0.0, -1.0/), (/2, 2/) )
452  Irr(11)%mat(:,:,14) =  RESHAPE( (/0.5-0.86603*j, 0*j, 0*j, 0.5+0.86603*j/), (/2, 2/) )
453  Irr(11)%mat(:,:,15) =  RESHAPE( (/0.5+0.86603*j, 0*j, 0*j, 0.5-0.86603*j/), (/2, 2/) )
454  Irr(11)%mat(:,:,16) =  RESHAPE( (/1.0, 0.0, 0.0, 1.0/), (/2, 2/) )
455  Irr(11)%mat(:,:,17) =  RESHAPE( (/-0.5+0.86603*j, 0*j, 0*j, -0.5-0.86603*j/), (/2, 2/) )
456  Irr(11)%mat(:,:,18) =  RESHAPE( (/-0.5-0.86603*j, 0*j, 0*j, -0.5+0.86603*j/), (/2, 2/) )
457  Irr(11)%mat(:,:,19) =  RESHAPE( (/0.0, -1.0, -1.0, 0.0/), (/2, 2/) )
458  Irr(11)%mat(:,:,20) =  RESHAPE( (/0*j, 0.5-0.86603*j, 0.5+0.86603*j, 0*j/), (/2, 2/) )
459  Irr(11)%mat(:,:,21) =  RESHAPE( (/0*j, 0.5+0.86603*j, 0.5-0.86603*j, 0*j/), (/2, 2/) )
460  Irr(11)%mat(:,:,22) =  RESHAPE( (/0.0, 1.0, 1.0, 0.0/), (/2, 2/) )
461  Irr(11)%mat(:,:,23) =  RESHAPE( (/0*j, -0.5+0.86603*j, -0.5-0.86603*j, 0*j/), (/2, 2/) )
462  Irr(11)%mat(:,:,24) =  RESHAPE( (/0*j, -0.5-0.86603*j, -0.5+0.86603*j, 0*j/), (/2, 2/) )
463 
464  Irr(12)%name = "E1g"
465  Irr(12)%dim = 2
466  Irr(12)%nsym = 24
467  ABI_MALLOC(Irr(12)%mat, (2,2,24))
468  Irr(12)%mat(:,:,1) =  RESHAPE( (/1.0, 0.0, 0.0, 1.0/), (/2, 2/) )
469  Irr(12)%mat(:,:,2) =  RESHAPE( (/-0.5+0.86603*j, 0*j, 0*j, -0.5-0.86603*j/), (/2, 2/) )
470  Irr(12)%mat(:,:,3) =  RESHAPE( (/-0.5-0.86603*j, 0*j, 0*j, -0.5+0.86603*j/), (/2, 2/) )
471  Irr(12)%mat(:,:,4) =  RESHAPE( (/-1.0, 0.0, 0.0, -1.0/), (/2, 2/) )
472  Irr(12)%mat(:,:,5) =  RESHAPE( (/0.5-0.86603*j, 0*j, 0*j, 0.5+0.86603*j/), (/2, 2/) )
473  Irr(12)%mat(:,:,6) =  RESHAPE( (/0.5+0.86603*j, 0*j, 0*j, 0.5-0.86603*j/), (/2, 2/) )
474  Irr(12)%mat(:,:,7) =  RESHAPE( (/0.0, 1.0, 1.0, 0.0/), (/2, 2/) )
475  Irr(12)%mat(:,:,8) =  RESHAPE( (/0*j, -0.5+0.86603*j, -0.5-0.86603*j, 0*j/), (/2, 2/) )
476  Irr(12)%mat(:,:,9) =  RESHAPE( (/0*j, -0.5-0.86603*j, -0.5+0.86603*j, 0*j/), (/2, 2/) )
477  Irr(12)%mat(:,:,10) =  RESHAPE( (/0.0, -1.0, -1.0, 0.0/), (/2, 2/) )
478  Irr(12)%mat(:,:,11) =  RESHAPE( (/0*j, 0.5-0.86603*j, 0.5+0.86603*j, 0*j/), (/2, 2/) )
479  Irr(12)%mat(:,:,12) =  RESHAPE( (/0*j, 0.5+0.86603*j, 0.5-0.86603*j, 0*j/), (/2, 2/) )
480  Irr(12)%mat(:,:,13) =  RESHAPE( (/1.0, 0.0, 0.0, 1.0/), (/2, 2/) )
481  Irr(12)%mat(:,:,14) =  RESHAPE( (/-0.5+0.86603*j, 0*j, 0*j, -0.5-0.86603*j/), (/2, 2/) )
482  Irr(12)%mat(:,:,15) =  RESHAPE( (/-0.5-0.86603*j, 0*j, 0*j, -0.5+0.86603*j/), (/2, 2/) )
483  Irr(12)%mat(:,:,16) =  RESHAPE( (/-1.0, 0.0, 0.0, -1.0/), (/2, 2/) )
484  Irr(12)%mat(:,:,17) =  RESHAPE( (/0.5-0.86603*j, 0*j, 0*j, 0.5+0.86603*j/), (/2, 2/) )
485  Irr(12)%mat(:,:,18) =  RESHAPE( (/0.5+0.86603*j, 0*j, 0*j, 0.5-0.86603*j/), (/2, 2/) )
486  Irr(12)%mat(:,:,19) =  RESHAPE( (/0.0, 1.0, 1.0, 0.0/), (/2, 2/) )
487  Irr(12)%mat(:,:,20) =  RESHAPE( (/0*j, -0.5+0.86603*j, -0.5-0.86603*j, 0*j/), (/2, 2/) )
488  Irr(12)%mat(:,:,21) =  RESHAPE( (/0*j, -0.5-0.86603*j, -0.5+0.86603*j, 0*j/), (/2, 2/) )
489  Irr(12)%mat(:,:,22) =  RESHAPE( (/0.0, -1.0, -1.0, 0.0/), (/2, 2/) )
490  Irr(12)%mat(:,:,23) =  RESHAPE( (/0*j, 0.5-0.86603*j, 0.5+0.86603*j, 0*j/), (/2, 2/) )
491  Irr(12)%mat(:,:,24) =  RESHAPE( (/0*j, 0.5+0.86603*j, 0.5-0.86603*j, 0*j/), (/2, 2/) )
492 
493  RETURN
494   if (.FALSE.) write(std_out,*) j
495  end subroutine ptg_D6h