TABLE OF CONTENTS


ABINIT/ptg_C2 [ Functions ]

[ Top ] [ Functions ]

NAME

 ptg_C2

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  C2 (2)
 33 
 34 #if defined HAVE_CONFIG_H
 35 #include "config.h"
 36 #endif
 37 
 38 #include "abi_common.h"
 39 
 40 module m_ptg_C2
 41 contains
 42 !!**
 43 
 44  subroutine ptg_C2 (nsym,nclass,sym,class_ids,class_names,Irr)
 45  use defs_basis
 46  use m_abicore
 47  use m_defs_ptgroups,  only : irrep_t
 48 
 49 !This section has been created automatically by the script Abilint (TD).
 50 !Do not modify the following lines by hand.
 51 #undef ABI_FUNC
 52 #define ABI_FUNC 'ptg_C2'
 53 !End of the abilint section
 54 
 55  implicit none
 56 !Arguments ------------------------------------
 57  integer,intent(out) :: nclass,nsym 
 58  !arrays
 59  integer,allocatable,intent(out) :: sym(:,:,:), class_ids(:,:)
 60  character(len=5),allocatable,intent(out) :: class_names(:)
 61  type(irrep_t),allocatable,intent(out) :: Irr(:)
 62  !Local variables-------------------------------
 63  complex(dpc) :: j=(0.0_dp,1.0_dp) 
 64  ! ********************************************************************************
 65 ! List of symmetries packed in classes
 66  nsym = 2
 67  ABI_MALLOC(sym, (3,3,nsym))
 68  sym(:,:,1) = RESHAPE( (/1, 0, 0, 0, 1, 0, 0, 0, 1/) ,(/3,3/) )
 69  sym(:,:,2) = RESHAPE( (/-1, 0, 0, 0, 1, 0, 0, 0, -1/) ,(/3,3/) )
 70 
 71 ! Number of classes and corresponding indeces
 72  nclass = 2
 73  ABI_MALLOC(class_ids, (2,nclass))
 74  class_ids(1,1) = 1
 75  class_ids(2,1) = 1
 76  class_ids(1,2) = 2
 77  class_ids(2,2) = 2
 78 
 79 ABI_MALLOC(class_names,(2))
 80  class_names(1) = "1+" 
 81  class_names(2) = "2+" 
 82 
 83 ! List of irreducible representations.
 84  ABI_DT_MALLOC(Irr, (2))
 85  Irr(1)%name = "A"
 86  Irr(1)%dim = 1
 87  Irr(1)%nsym = 2
 88  ABI_MALLOC(Irr(1)%mat, (1,1,2))
 89  Irr(1)%mat(:,:,1) =  RESHAPE( (/1.0/), (/1, 1/) )
 90  Irr(1)%mat(:,:,2) =  RESHAPE( (/1.0/), (/1, 1/) )
 91 
 92  Irr(2)%name = "B"
 93  Irr(2)%dim = 1
 94  Irr(2)%nsym = 2
 95  ABI_MALLOC(Irr(2)%mat, (1,1,2))
 96  Irr(2)%mat(:,:,1) =  RESHAPE( (/1.0/), (/1, 1/) )
 97  Irr(2)%mat(:,:,2) =  RESHAPE( (/-1.0/), (/1, 1/) )
 98 
 99  RETURN
100   if (.FALSE.) write(std_out,*) j
101  end subroutine ptg_C2