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       1              : !!****f* ABINIT/ptg_C3
       2              : !!
       3              : !! NAME
       4              : !! ptg_C3
       5              : !!
       6              : !! FUNCTION
       7              : !!
       8              : !! COPYRIGHT
       9              : !! Copyright (C) 2010-2026 ABINIT group (MG)
      10              : !! This file is distributed under the terms of the
      11              : !! GNU General Public License, see ~abinit/COPYING
      12              : !! or http://www.gnu.org/copyleft/gpl.txt .
      13              : !! For the initials of contributors, see ~abinit/doc/developers/contributors.txt .
      14              : !!
      15              : !! INPUTS
      16              : !!
      17              : !! OUTPUT
      18              : !!
      19              : !! SOURCE
      20              : !!
      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  C3 (3)
      27              : 
      28              : #if defined HAVE_CONFIG_H
      29              : #include "config.h"
      30              : #endif
      31              : 
      32              : #include "abi_common.h"
      33              : 
      34              : 
      35              : module m_ptg_C3
      36              : contains
      37              : !!**
      38              : 
      39              : 
      40              : 
      41            0 :  subroutine ptg_C3 (nsym,nclass,sym,class_ids,class_names,Irr)
      42              :  use defs_basis
      43              :  use m_abicore
      44              :  use m_defs_ptgroups,  only : irrep_t
      45              :  implicit none
      46              : !Arguments ------------------------------------
      47              :  integer,intent(out) :: nclass,nsym
      48              :  !arrays
      49              :  integer,allocatable,intent(out) :: sym(:,:,:), class_ids(:,:)
      50              :  character(len=5),allocatable,intent(out) :: class_names(:)
      51              :  type(irrep_t),allocatable,intent(out) :: Irr(:)
      52              :  !Local variables-------------------------------
      53              :  complex(dp) :: j=(0.0_dp,1.0_dp)
      54              :  ! ********************************************************************************
      55              : ! List of symmetries packed in classes
      56            0 :  nsym = 3
      57            0 :  ABI_MALLOC(sym, (3,3,nsym))
      58            0 :  sym(:,:,1) = RESHAPE( (/1, 0, 0, 0, 1, 0, 0, 0, 1/) ,(/3,3/) )
      59            0 :  sym(:,:,2) = RESHAPE( (/0, 1, 0, -1, -1, 0, 0, 0, 1/) ,(/3,3/) )
      60            0 :  sym(:,:,3) = RESHAPE( (/-1, -1, 0, 1, 0, 0, 0, 0, 1/) ,(/3,3/) )
      61              : 
      62              : ! Number of classes and corresponding indices
      63            0 :  nclass = 3
      64            0 :  ABI_MALLOC(class_ids, (2,nclass))
      65            0 :  class_ids(1,1) = 1
      66            0 :  class_ids(2,1) = 1
      67            0 :  class_ids(1,2) = 2
      68            0 :  class_ids(2,2) = 2
      69            0 :  class_ids(1,3) = 3
      70            0 :  class_ids(2,3) = 3
      71              : 
      72            0 : ABI_MALLOC(class_names,(3))
      73            0 :  class_names(1) = "1+"
      74            0 :  class_names(2) = "3+"
      75            0 :  class_names(3) = "3+"
      76              : 
      77              : ! List of irreducible representations.
      78            0 :  ABI_MALLOC(Irr, (3))
      79            0 :  Irr(1)%name = "A"
      80            0 :  Irr(1)%dim = 1
      81            0 :  Irr(1)%nsym = 3
      82            0 :  ABI_MALLOC(Irr(1)%mat, (1,1,3))
      83            0 :  Irr(1)%mat(:,:,1) =  RESHAPE( (/1.0/), (/1, 1/) )
      84            0 :  Irr(1)%mat(:,:,2) =  RESHAPE( (/1.0/), (/1, 1/) )
      85            0 :  Irr(1)%mat(:,:,3) =  RESHAPE( (/1.0/), (/1, 1/) )
      86              : 
      87            0 :  Irr(2)%name = "E1"
      88            0 :  Irr(2)%dim = 1
      89            0 :  Irr(2)%nsym = 3
      90            0 :  ABI_MALLOC(Irr(2)%mat, (1,1,3))
      91            0 :  Irr(2)%mat(:,:,1) =  RESHAPE( (/1.0/), (/1, 1/) )
      92            0 :  Irr(2)%mat(:,:,2) =  RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) )
      93            0 :  Irr(2)%mat(:,:,3) =  RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) )
      94              : 
      95            0 :  Irr(3)%name = "E2"
      96            0 :  Irr(3)%dim = 1
      97            0 :  Irr(3)%nsym = 3
      98            0 :  ABI_MALLOC(Irr(3)%mat, (1,1,3))
      99            0 :  Irr(3)%mat(:,:,1) =  RESHAPE( (/1.0/), (/1, 1/) )
     100            0 :  Irr(3)%mat(:,:,2) =  RESHAPE( (/-0.5-0.86603*j/), (/1, 1/) )
     101            0 :  Irr(3)%mat(:,:,3) =  RESHAPE( (/-0.5+0.86603*j/), (/1, 1/) )
     102              : 
     103            0 :  RETURN
     104              :   if (.FALSE.) write(std_out,*) j
     105              :  end subroutine ptg_C3
     106              : !!***
     107              : 
     108              : end module m_ptg_C3
     109              : !!***