quantum-espresso/PHonon/PH/elph.f90

35 lines
1.1 KiB
Fortran

!
! Copyright (C) 2001-2003 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 .
!
!----------------------------------------------------------------------------
!
MODULE el_phon
USE kinds, ONLY : DP
!
SAVE
!
LOGICAL :: elph, elph_mat, elph_simple, elph_epa
INTEGER :: elph_nbnd_min, elph_nbnd_max
INTEGER :: el_ph_ngauss, el_ph_nsigma
INTEGER :: iunwfcwann, lrwfcr
INTEGER :: npwq_refolded, ikqg
INTEGER, allocatable :: wan_index_dyn(:)
INTEGER, allocatable :: kpq(:), g_kpq(:,:),igqg(:)
REAL(DP) :: el_ph_sigma
REAL(DP), allocatable :: xk_gamma(:,:)
COMPLEX(DP), ALLOCATABLE, TARGET :: &
el_ph_mat(:,:,:,:) ! nbnd, nbnd, nks, 3*nat
COMPLEX(DP), ALLOCATABLE, TARGET :: &
el_ph_mat_rec(:,:,:,:) ! nbnd, nbnd, nksq, npe
COMPLEX(DP), POINTER :: &
el_ph_mat_rec_col(:,:,:,:) ! nbnd, nbnd, nksqtot, npe
CHARACTER (LEN=256) :: auxdvscf
LOGICAL, ALLOCATABLE :: comp_elph(:), done_elph(:)
REAL(DP), ALLOCATABLE :: gamma_disp(:,:,:)
!
END MODULE el_phon