TABLE OF CONTENTS

ABINIT/ptgmadata [ Functions ]

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NAME

 ptgmadata

FUNCTION

 Return magnetic point group symbol from the magnetic point group number
 The symbols and numbers are taken from  The Internationl Tables for Crystallography
 Volume A, 1983 Ed. Theo Hahn, D. Reidel Publishing Company and
 The mathematical theory of symmetry in solids, Representation theory for point
 groups and space groups, 1972, C.J. Bradley and A.P.
 Cracknell, Clarendon Press, Oxford.

COPYRIGHT

 Copyright (C) 2002-2018 ABINIT group (XG)
 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

 ptgroupma = space group number

OUTPUT

 ptgrpmasb= symbol

PARENTS

      prtspgroup

CHILDREN

SOURCE

 34 #if defined HAVE_CONFIG_H
 35 #include "config.h"
 36 #endif
 37 
 38 #include "abi_common.h"
 39 
 40 
 41 subroutine ptgmadata(ptgroupma,ptgrpmasb)
 42 
 43  use defs_basis
 44  use m_profiling_abi
 45 
 46 !This section has been created automatically by the script Abilint (TD).
 47 !Do not modify the following lines by hand.
 48 #undef ABI_FUNC
 49 #define ABI_FUNC 'ptgmadata'
 50 !End of the abilint section
 51 
 52  implicit none
 53 
 54 !Arguments ------------------------------------
 55 !scalars
 56  integer,intent(in) :: ptgroupma
 57  character(len=10),intent(out) :: ptgrpmasb
 58 
 59 ! *************************************************************************
 60 
 61  select case (ptgroupma)
 62  case(1)
 63    ptgrpmasb="-1'"
 64  case(2)
 65    ptgrpmasb="2'"
 66  case(3)
 67    ptgrpmasb="m'"
 68  case(4)
 69    ptgrpmasb="2/m'"
 70  case(5)
 71    ptgrpmasb="2'/m"
 72  case(6)
 73    ptgrpmasb="2'/m'"
 74  case(7)
 75    ptgrpmasb="2'2'2"
 76  case(8)
 77    ptgrpmasb="m'm'2"
 78  case(9)
 79    ptgrpmasb="m'm2'"
 80  case(10)
 81    ptgrpmasb="m'm'm'"
 82  case(11)
 83    ptgrpmasb="mmm'"
 84  case(12)
 85    ptgrpmasb="m'm'm"
 86  case(13)
 87    ptgrpmasb="4'"
 88  case(14)
 89    ptgrpmasb="-4'"
 90  case(15)
 91    ptgrpmasb="42'2'"
 92  case(16)
 93    ptgrpmasb="4'22'"
 94  case(17)
 95    ptgrpmasb="4/m'"
 96  case(18)
 97    ptgrpmasb="4'/m'"
 98  case(19)
 99    ptgrpmasb="4'/m"
100  case(20)
101    ptgrpmasb="4m'm'"
102  case(21)
103    ptgrpmasb="4'mm'"
104  case(22)
105    ptgrpmasb="-42'm'"
106  case(23)
107    ptgrpmasb="-4'2m'"
108  case(24)
109    ptgrpmasb="-4'm2'"
110  case(25)
111    ptgrpmasb="4/m'm'm'"
112  case(26)
113    ptgrpmasb="4/m'mm"
114  case(27)
115    ptgrpmasb="4'/mmm'"
116  case(28)
117    ptgrpmasb="4'/m'm'm"
118  case(29)
119    ptgrpmasb="4/mm'm'"
120  case(30)
121    ptgrpmasb="32'"
122  case(31)
123    ptgrpmasb="3m'"
124  case(32)
125    ptgrpmasb="-6'"
126  case(33)
127    ptgrpmasb="-6m'2'"
128  case(34)
129    ptgrpmasb="-6'm2'"
130  case(35)
131    ptgrpmasb="-6'm'2"
132  case(36)
133    ptgrpmasb="6'"
134  case(37)
135    ptgrpmasb="-3'"
136  case(38)
137    ptgrpmasb="-3m'"
138  case(39)
139    ptgrpmasb="-3'm"
140  case(40)
141    ptgrpmasb="-3'm'"
142  case(41)
143    ptgrpmasb="62'2'"
144  case(42)
145    ptgrpmasb="6'2'2"
146  case(43)
147    ptgrpmasb="6/m'"
148  case(44)
149    ptgrpmasb="6'/m'"
150  case(45)
151    ptgrpmasb="6'/m"
152  case(46)
153    ptgrpmasb="6m'm'"
154  case(47)
155    ptgrpmasb="6'm'm"
156  case(48)
157    ptgrpmasb="6'/mmm'"
158  case(49)
159    ptgrpmasb="6'/m'm'm"
160  case(50)
161    ptgrpmasb="6/m'm'm'"
162  case(51)
163    ptgrpmasb="6/m'mm"
164  case(52)
165    ptgrpmasb="6/mm'm'"
166  case(53)
167    ptgrpmasb="m'3"
168  case(54)
169    ptgrpmasb="-4'3m'"
170  case(55)
171    ptgrpmasb="4'32'"
172  case(56)
173    ptgrpmasb="m'3m'"
174  case(57)
175    ptgrpmasb="m'3m"
176  case(58)
177    ptgrpmasb="m3m'"
178  end select
179 
180 end subroutine ptgmadata