2003-01-20 05:58:50 +08:00
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!
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! Copyright (C) 2001 PWSCF group
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! This file is distributed under the terms of the
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! GNU General Public License. See the file `License'
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! in the root directory of the present distribution,
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! or http://www.gnu.org/copyleft/gpl.txt .
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!
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!
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!-----------------------------------------------------------------------
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2003-02-08 00:04:36 +08:00
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subroutine multable (nsym, s, table)
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2003-01-20 05:58:50 +08:00
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!-----------------------------------------------------------------------
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!
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! sets up the multiplication table for a group represented by 3x3
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! integer matrices and checks that {s} is a group indeed:
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!
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! table(n,m) = index( s(n)*s(m) )
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!
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2004-01-23 23:08:03 +08:00
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USE kinds
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2003-02-08 00:04:36 +08:00
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implicit none
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2003-01-20 05:58:50 +08:00
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!
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! here the dummy variables
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!
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2003-02-08 00:04:36 +08:00
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integer :: nsym, s (3, 3, 48), table (48, 48)
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2003-01-20 05:58:50 +08:00
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! input: the number of symmetry of the
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! input: the symmetry matrices
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! output: the multiplication table
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!
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! and here the local variables
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!
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2003-02-08 00:04:36 +08:00
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integer :: irot, jrot, krot, ipol, jpol, kpol, ss (3, 3)
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2003-01-20 05:58:50 +08:00
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! \
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! counter on rotations
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! /
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! \
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! counters on polarizations
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! /
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! buffer multiplication matrix
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2003-02-08 00:04:36 +08:00
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logical :: found, smn
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2003-01-20 05:58:50 +08:00
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! if true the table has been set
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! used to check symmetries
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2003-02-08 00:04:36 +08:00
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do irot = 1, nsym
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do jrot = 1, nsym
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2003-01-20 05:58:50 +08:00
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!
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2003-02-08 00:04:36 +08:00
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do ipol = 1, 3
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2003-01-20 05:58:50 +08:00
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! sets up th
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2003-02-08 00:04:36 +08:00
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do jpol = 1, 3
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2003-01-20 05:58:50 +08:00
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! product
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2003-02-08 00:04:36 +08:00
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ss (ipol, jpol) = 0
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2003-01-20 05:58:50 +08:00
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! matrix
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2003-02-08 00:04:36 +08:00
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do kpol = 1, 3
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2003-01-20 05:58:50 +08:00
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!
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ss (ipol, jpol) = ss (ipol, jpol) + s (ipol, kpol, jrot) * s ( &
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kpol, jpol, irot)
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! ss=s(j)*s(
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!
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enddo
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!
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enddo
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!
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enddo
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!
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! here checks that the input matrices really form a group
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! and sets the multiplication table
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!
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2003-02-08 00:04:36 +08:00
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found = .false.
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do krot = 1, nsym
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smn = .true.
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do ipol = 1, 3
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do jpol = 1, 3
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smn = smn.and. (s (ipol, jpol, krot) .eq.ss (ipol, jpol) )
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2003-01-20 05:58:50 +08:00
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enddo
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enddo
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2003-02-08 00:04:36 +08:00
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if (smn) then
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2003-02-21 22:57:00 +08:00
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if (found) call errore ('Multable', 'Not a group', 1)
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2003-02-08 00:04:36 +08:00
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found = .true.
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table (jrot, irot) = krot
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2003-01-20 05:58:50 +08:00
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endif
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enddo
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enddo
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2003-02-21 22:57:00 +08:00
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if (.not.found) call errore ('Multable', ' Not a group', 2)
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2003-01-20 05:58:50 +08:00
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enddo
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2003-02-08 00:04:36 +08:00
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return
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2003-01-20 05:58:50 +08:00
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end subroutine multable
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