! ! 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 random_matrix (irt, irgq, nsymq, minus_q, irotmq, nat, & wdyn, lgamma) !---------------------------------------------------------------------- ! ! Create a random hermitian matrix with non zero elements similar to ! the dynamical matrix of the system ! ! USE kinds, only : DP USE random_numbers, ONLY : randy implicit none ! ! The dummy variables ! integer :: nat, irt (48, nat), irgq (48), nsymq, irotmq ! input: number of atoms ! input: index of the rotated atom ! input: the small group of q ! input: the order of the small group ! input: the rotation sending q -> -q complex(DP) :: wdyn (3, 3, nat, nat) ! output: random matrix logical :: lgamma, minus_q ! input: if true q=0 ! input: if true there is a symmetry ! ! The local variables ! integer :: na, nb, ipol, jpol, isymq, irot, ira, iramq ! counters ! ira: rotated atom ! iramq: rotated atom with the q->-q+G symmetry ! ! wdyn (:, :, :, :) = (0d0, 0d0) do na = 1, nat do ipol = 1, 3 wdyn (ipol, ipol, na, na) = CMPLX(2 * randy () - 1, 0.d0,kind=DP) do jpol = ipol + 1, 3 if (lgamma) then wdyn (ipol, jpol, na, na) = CMPLX(2 * randy () - 1, 0.d0,kind=DP) else wdyn (ipol, jpol, na, na) = & CMPLX(2 * randy () - 1, 2 * randy () - 1,kind=DP) endif wdyn (jpol, ipol, na, na) = CONJG(wdyn (ipol, jpol, na, na) ) enddo do nb = na + 1, nat do isymq = 1, nsymq irot = irgq (isymq) ira = irt (irot, na) if (minus_q) then iramq = irt (irotmq, na) else iramq = 0 endif if ( (nb == ira) .or. (nb == iramq) ) then do jpol = 1, 3 if (lgamma) then wdyn (ipol, jpol, na, nb) = CMPLX(2*randy () - 1, 0.d0,kind=DP) else wdyn (ipol, jpol, na, nb) = & CMPLX(2*randy () - 1, 2*randy () - 1,kind=DP) endif wdyn(jpol, ipol, nb, na) = CONJG(wdyn(ipol, jpol, na, nb)) enddo goto 10 endif enddo 10 continue enddo enddo enddo return end subroutine random_matrix