get_thermally_broadened_intensity_along_path Subroutine

Description

calculate the intensity along a path

subroutine get_thermally_broadened_intensity_along_path(bs, uc, fc, fct, fcf, qp, dr, loto, opts, mw, lsmpi)

Arguments

Type IntentOptional AttributesName
type(lo_phonon_bandstructure), intent(inout) :: bs

the bandstructure

type(lo_crystalstructure), intent(inout) :: uc

crystal structure

type(lo_forceconstant_secondorder), intent(in) :: fc

second order force constant

type(lo_forceconstant_thirdorder), intent(in) :: fct

third order force constant

type(lo_forceconstant_fourthorder), intent(in) :: fcf

fourth order force constant

type(lo_monkhorst_pack_mesh), intent(in) :: qp

q-point mesh

type(lo_phonon_dispersions), intent(in) :: dr

harmonic properties on this mesh

type(lo_loto), intent(in) :: loto

electrostatic corrections

type(lo_opts), intent(in) :: opts

all settings

type(lo_mpiinfo), intent(in) :: mw

mpi communicator

type(lo_lsmpi), intent(in) :: lsmpi

mpi helper

Calls

proc~~get_thermally_broadened_intensity_along_path~~CallsGraph proc~get_thermally_broadened_intensity_along_path get_thermally_broadened_intensity_along_path dum dum proc~get_thermally_broadened_intensity_along_path->dum lo_linspace lo_linspace proc~get_thermally_broadened_intensity_along_path->lo_linspace lo_gauss lo_gauss proc~get_thermally_broadened_intensity_along_path->lo_gauss lo_seed_random_numbers lo_seed_random_numbers proc~get_thermally_broadened_intensity_along_path->lo_seed_random_numbers lo_progressbar lo_progressbar proc~get_thermally_broadened_intensity_along_path->lo_progressbar mpi_allreduce mpi_allreduce proc~get_thermally_broadened_intensity_along_path->mpi_allreduce lo_allocate lo_allocate proc~get_thermally_broadened_intensity_along_path->lo_allocate lo_deallocate lo_deallocate proc~get_thermally_broadened_intensity_along_path->lo_deallocate lo_progressbar_init lo_progressbar_init proc~get_thermally_broadened_intensity_along_path->lo_progressbar_init lo_sqnorm lo_sqnorm proc~get_thermally_broadened_intensity_along_path->lo_sqnorm lo_planck lo_planck proc~get_thermally_broadened_intensity_along_path->lo_planck harmonic_things_at_single_q harmonic_things_at_single_q proc~get_thermally_broadened_intensity_along_path->harmonic_things_at_single_q walltime walltime proc~get_thermally_broadened_intensity_along_path->walltime
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