!
! License-Identifier: GPL
!
! Copyright (C) 2006 The Yambo Team
!
! Authors (see AUTHORS file for details): AM
!
! headers
!
#include<y_memory.h>
!
subroutine RT_ELPH_initialize(E,k,q)
!
use parser_m, ONLY:parser
use real_time, ONLY:RT_bands
use electrons, ONLY:levels
use drivers, ONLY:l_elph_scatt,l_phel_scatt
use R_lattice, ONLY:bz_samp
use ELPH, ONLY:PH_freqs_sq,PH_W_debye,GKKP_ep_sq,GKKP_pe_sq,l_GKKP_expanded_DB_exists,elph_nQ
use y_memory_alloc
!
implicit none
!
type(levels) :: E
type(bz_samp),intent(in) :: k,q
!
! Work Space
!
logical ::l_use_Debye_E
!
call section('=','El-Ph matrix elements')
! ---------------------
! Logicals
!==========
if (.not.l_elph_scatt.and..not.l_phel_scatt) return
!
call parser('UseDebyeE' , l_use_Debye_E)
!
! El-Ph databases check
!=======================
call ELPH_databases_check(RT_bands)
if (.not.l_GKKP_expanded_DB_exists) then
call warning('ELPH (expanded) database not found and/or incompatible OR QP widths not provided. E-P scattering switched off')
l_elph_scatt =.FALSE.
return
endif
!
! Q/K grid remapping
!====================
call ELPH_databases_grids_map(k,q)
!
! El-Ph databases I/O
!=====================
if (l_elph_scatt) call ELPH_databases_load(GKKP_ep_sq,E,k,q,RT_bands,(/1,elph_nQ/),"Q-BZ K-IBZ K-sym","dressed-dressed")
!
! Pj-El databases I/O
!=====================
if (l_phel_scatt) call ELPH_databases_load(GKKP_pe_sq,E,k,q,RT_bands,(/1,elph_nQ/),"Q-IBZ K-BZ Q-sym","dressed-dressed")
!
! Test of the effect of using a single optical mode
! ===================
!
if (l_use_Debye_E) PH_freqs_sq=PH_W_debye**2
!
! Q weights
!===========
!
call section('=','El-Ph BZ integrals')
! -------------------
call ELPH_acoustic_phonon_properties(q)
!
call RT_ELPH_Q_weights(q)
!
! THETA matrix indexes
!======================
#if defined _ELPH_ITERATIVE
call RT_ELPH_iterative_init( )
#endif
!
end subroutine RT_ELPH_initialize
