! This file is copied and modified from QUANTUM ESPRESSO ! Kun Cao, Henry Lambert, Feliciano Giustino ! ! 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 allocate_part ( nat ) !----------------------------------------------------------------------- ! ! dynamical allocation of arrays for the control of partial computation ! of the dynamical matrix ! USE partial, ONLY : comp_irr, done_irr, atomo IMPLICIT NONE INTEGER, INTENT(IN) :: nat ! ! allocate space for several arrays which control the run ! allocate (comp_irr ( 0:3 * nat)) allocate (done_irr ( 0:3 * nat)) allocate (atomo ( nat)) atomo(:) = 0 return end subroutine allocate_part