! ! Copyright (C) 2007-2009 Jesse Noffsinger, Brad Malone, 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 . ! !----------------------------------------------------------------------- module kfold !----------------------------------------------------------------------- ! ! ... The variables for folding the k+q gris back into the k grid ! USE kinds, ONLY : DP ! INTEGER :: & ! g0vec_all(3,27),&! G-vectors needed to fold the k+q grid into the k grid g0vec_all(3,125),&! G-vectors needed to fold the k+q grid into the k grid ng0vec ! number of inequivalent such translations (27) INTEGER, allocatable :: & shift (:), &! for every k+q, index of the G0-vector needed to fold k+q into k+q+G0 gmap(:,:) ! the map G --> G-G_0 in the large (density) set, for every G_0 (27 at most) REAL(kind=DP) :: & ! g0vec_all_r(3,27)! G-vectors needed to fold the k+q grid into the k grid, cartesian coord. g0vec_all_r(3,125)! G-vectors needed to fold the k+q grid into the k grid, cartesian coord. - LSCO fix ! end module kfold