TABLE OF CONTENTS

ABINIT/ptg_C1 [ Functions ]

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NAME

 ptg_C1

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  C1 (1)
33 
34 #if defined HAVE_CONFIG_H
35 #include "config.h"
36 #endif
37 
38 #include "abi_common.h"
39 
40  subroutine ptg_C1 (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_C1'
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 = 1
63  ABI_MALLOC(sym, (3,3,nsym))
64  sym(:,:,1) = RESHAPE( (/1, 0, 0, 0, 1, 0, 0, 0, 1/) ,(/3,3/) )
65 
66 ! Number of classes and corresponding indeces
67  nclass = 1
68  ABI_MALLOC(class_ids, (2,nclass))
69  class_ids(1,1) = 1
70  class_ids(2,1) = 1
71 
72 ABI_MALLOC(class_names,(1))
73  class_names(1) = "1+" 
74 
75 ! List of irreducible representations.
76  ABI_DT_MALLOC(Irr, (1))
77  Irr(1)%name = "A"
78  Irr(1)%dim = 1
79  Irr(1)%nsym = 1
80  ABI_MALLOC(Irr(1)%mat, (1,1,1))
81  Irr(1)%mat(:,:,1) =  RESHAPE( (/1.0/), (/1, 1/) )
82 
83  RETURN
84   if (.FALSE.) write(std_out,*) j
85  end subroutine ptg_C1