! ! Copyright (C) 2001 PWSCF 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 write_ramtns (iudyn, ramtns) !----------------------------------------------------------------------- USE kinds, ONLY : DP USE constants, ONLY : fpi USE cell_base, ONLY : omega USE ions_base, ONLY : nat ! implicit none integer, intent(in) :: iudyn ! unit real(DP), intent(in) :: ramtns(3, 3, 3, nat) ! raman tensor ! local variables integer :: na, ic, jc, kc ! counters real (DP), parameter :: convfact = 0.529177**2 ! conversion factor from au^2 to A^2 ! ! write raman tensor (D chi/d tau in A^2) to iudyn ! write(iudyn,'(/5x,"Raman tensor (A^2)",/)') do na = 1, nat do kc = 1, 3 write (iudyn,'(5x,"atom # ",i4," pol.",i3)') na, kc write (iudyn, '(3e24.12)') ( (ramtns(ic, jc, kc, na) * & omega/fpi*convfact, ic = 1, 3), jc = 1, 3) enddo enddo return end subroutine write_ramtns