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1 : !!****f* ABINIT/ptg_Ci
2 : !!
3 : !! NAME
4 : !! ptg_Ci
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 Ci (-1)
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_Ci
36 : contains
37 : !!**
38 :
39 :
40 :
41 0 : subroutine ptg_Ci (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 = 2
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( (/-1, 0, 0, 0, -1, 0, 0, 0, -1/) ,(/3,3/) )
60 :
61 : ! Number of classes and corresponding indices
62 0 : nclass = 2
63 0 : ABI_MALLOC(class_ids, (2,nclass))
64 0 : class_ids(1,1) = 1
65 0 : class_ids(2,1) = 1
66 0 : class_ids(1,2) = 2
67 0 : class_ids(2,2) = 2
68 :
69 0 : ABI_MALLOC(class_names,(2))
70 0 : class_names(1) = "1+"
71 0 : class_names(2) = "-2-"
72 :
73 : ! List of irreducible representations.
74 0 : ABI_MALLOC(Irr, (2))
75 0 : Irr(1)%name = "Ag"
76 0 : Irr(1)%dim = 1
77 0 : Irr(1)%nsym = 2
78 0 : ABI_MALLOC(Irr(1)%mat, (1,1,2))
79 0 : Irr(1)%mat(:,:,1) = RESHAPE( (/1.0/), (/1, 1/) )
80 0 : Irr(1)%mat(:,:,2) = RESHAPE( (/1.0/), (/1, 1/) )
81 :
82 0 : Irr(2)%name = "Au"
83 0 : Irr(2)%dim = 1
84 0 : Irr(2)%nsym = 2
85 0 : ABI_MALLOC(Irr(2)%mat, (1,1,2))
86 0 : Irr(2)%mat(:,:,1) = RESHAPE( (/1.0/), (/1, 1/) )
87 0 : Irr(2)%mat(:,:,2) = RESHAPE( (/-1.0/), (/1, 1/) )
88 :
89 0 : RETURN
90 : if (.FALSE.) write(std_out,*) j
91 : end subroutine ptg_Ci
92 : !!***
93 :
94 : end module m_ptg_Ci
95 : !!***
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