!! This program is free software; you can redistribute it and/or modify !! it under the terms of the GNU General Public License as published by !! the Free Software Foundation; either version 2, or (at your option) !! any later version. !! !! This program is distributed in the hope that it will be useful, !! but WITHOUT ANY WARRANTY; without even the implied warranty of !! MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the !! GNU General Public License for more details. !! !! You should have received a copy of the GNU General Public License !! along with this program; if not, write to the Free Software !! Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA !/*!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! MODULE MESH ! =========== ! ! This simple module holds the information that describe the KS states: ! the number of orbitals, and the variables that hold them, used by most ! of the programs and subroutines. !*/!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! module states integer :: N_occ ! Number of occupied orbitals (occupation number is alwasy two) integer :: N_empty ! Number of unoccupied orbitals. integer :: N_wf ! Total (it should alwasy be N_occ + N_wf) ! The next two variables hold the wavefunctions; wfs is real, and is used ! by the "gs" program, whereas zwfs is complex and used by the "td" program. real(8), allocatable :: wfs(:, :, :) complex(8), allocatable :: zwfs(:, :, :) end module states