!----------------------------------------------------------------------- ! Copyright (C) 2010-2015 Henry Lambert, Feliciano Giustino ! 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 rotate(xq, raq, s, nsym, isym) !----------------------------------------------------------------------- USE kinds, ONLY : DP USE cell_base, ONLY : bg, at IMPLICIT NONE REAL(DP), PARAMETER :: accep=1.e-5_dp REAL(DP), INTENT(IN) :: xq (3) INTEGER, INTENT(IN) :: s (3, 3, 48), nsym REAL(DP) :: wrk (3), aq (3), raq (3), zero (3) integer :: isym, ipol, jpol aq = xq call cryst_to_cart (1, aq, at, - 1) raq = 0.d0 do ipol = 1, 3 do jpol = 1, 3 raq (ipol) = raq (ipol) + DBLE (s (ipol, jpol, isym) )*aq (jpol) enddo enddo call cryst_to_cart (1, raq, bg, +1) END SUBROUTINE