mirror of https://gitlab.com/QEF/q-e.git
51 lines
1.3 KiB
Fortran
51 lines
1.3 KiB
Fortran
!
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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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subroutine s_axis_to_cart (s, sr, at, bg)
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!----------------------------------------------------------------------
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!
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! This routine transform a symmetry matrix expressed in the
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! basis of the crystal axis in the cartesian basis.
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!
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! last revised 3 may 1995 by A. Dal Corso
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!
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!
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USE kinds
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implicit none
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!
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! first the input parameters
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!
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integer :: s (3, 3)
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! input: matrix in crystal axis
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real(kind=DP) :: sr (3, 3), at (3, 3), bg (3, 3)
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! output: matrix in cartesian axis
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! input: direct lattice vectors
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! input: reciprocal lattice vectors
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!
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! here the local variable
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!
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integer :: apol, bpol, kpol, lpol
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!
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! counters on polarizations
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!
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do apol = 1, 3
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do bpol = 1, 3
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sr (apol, bpol) = 0.d0
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do kpol = 1, 3
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do lpol = 1, 3
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sr (apol, bpol) = sr (apol, bpol) + at (apol, kpol) * &
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dble ( s (lpol, kpol) ) * bg (bpol, lpol)
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enddo
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enddo
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enddo
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enddo
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return
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end subroutine s_axis_to_cart
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