quantum-espresso/GIPAW/sym_cart_tensor.f90

31 lines
845 B
Fortran

!
! Copyright (C) 2001-2005 Quantum-ESPRESSO group
! This file is distributed under the terms of the
! GNU General Public License. See the file `License'
! in the root directory of the present distribution,
! or http://www.gnu.org/copyleft/gpl.txt .
!
!-----------------------------------------------------------------------
SUBROUTINE sym_cart_tensor(tens)
!-----------------------------------------------------------------------
!
! ... symmetrize a rank-2 tensor in cartesian coordinates
!
USE kinds, ONLY : DP
USE cell_base, ONLY : at, bg
USE symme, ONLY : s, nsym
IMPLICIT NONE
REAL(DP), INTENT(INOUT) :: tens(3,3)
! cartesian to crystal
call trntns (tens, at, bg, -1)
! symmetrize
call symtns (tens, nsym, s)
! crystal to cartesian
call trntns (tens, at, bg, 1)
END SUBROUTINE sym_cart_tensor