! ! Copyright (C) 2005 Quantum-ESPRESSO 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 . ! MODULE nmr_mod ! ! Extra variable needed to describe nmr ! USE kinds, ONLY : DP IMPLICIT NONE SAVE ! INTEGER, ALLOCATABLE :: & igk_q(:) ! correspondence k+q+G <-> G REAL(DP), ALLOCATABLE :: & g2kin_q(:) ! kinetic energy for k+q COMPLEX(DP), ALLOCATABLE :: & vkb_q(:,:) ! all beta functions in reciprocal space for k+q CONTAINS SUBROUTINE init_nmr() USE wvfct, only: npwx USE uspp, ONLY : nkb IMPLICIT NONE allocate (igk_q(npwx)) allocate (g2kin_q(npwx)) allocate (vkb_q(npwx, nkb)) end SUBROUTINE init_nmr end MODULE nmr_mod