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Reverted to fixed length character arrays.
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nakib committed Mar 21, 2024
1 parent 64d6fe4 commit c7ecb2b
Showing 1 changed file with 19 additions and 2 deletions.
21 changes: 19 additions & 2 deletions src/bte.f90
Original file line number Diff line number Diff line change
Expand Up @@ -933,7 +933,7 @@ subroutine dragless_ebte_full(Tdir, self, num, crys, sym, el)

!Locals
real(r64), allocatable :: el_kappa0(:,:,:), el_alphabyT(:,:,:), &
el_sigma(:, :,:), el_sigmaS(:, :, :) ,dummy(:,:,:)
el_sigma(:, :,:), el_sigmaS(:, :, :)
real(r64) :: el_kappa0_scalar, el_kappa0_scalar_old, el_alphabyT_scalar, el_alphabyT_scalar_old, &
el_sigma_scalar, el_sigma_scalar_old, el_sigmaS_scalar, el_sigmaS_scalar_old
type(timer) :: t
Expand All @@ -943,7 +943,11 @@ subroutine dragless_ebte_full(Tdir, self, num, crys, sym, el)

call print_message("Dragless electron transport:")
call print_message("-----------------------------")


!Allocate electron transport coefficients
allocate(el_sigma(el%numbands, 3, 3), el_sigmaS(el%numbands, 3, 3), &
el_alphabyT(el%numbands, 3, 3), el_kappa0(el%numbands, 3, 3))

!Restart with RTA solution
self%el_response_T = self%el_field_term_T
self%el_response_E = self%el_field_term_E
Expand Down Expand Up @@ -1185,6 +1189,10 @@ subroutine dragless_phbte_full(Tdir, self, num, crys, sym, ph, el)
call print_message("Dragless phonon transport:")
call print_message("---------------------------")

!Allocate phonon transport coefficients
allocate(ph_kappa(ph%numbands, 3, 3), ph_alphabyT(ph%numbands, 3, 3), &
dummy(ph%numbands, 3, 3))

!Restart with RTA solution
self%ph_response_T = self%ph_field_term_T

Expand Down Expand Up @@ -1260,6 +1268,7 @@ subroutine dragfull_ephbtes(Tdir, self, num, crys, sym, ph, el)
type(timer) :: t

call t%start_timer('Coupled e-ph BTEs')

allocate(widc(product(el%wvmesh),6), idc(product(el%wvmesh),9), &
ksint(product(el%wvmesh),3))
do ik = 1, size(ksint,1)
Expand All @@ -1268,6 +1277,14 @@ subroutine dragfull_ephbtes(Tdir, self, num, crys, sym, ph, el)
call precompute_interpolation_corners_and_weights(ph%wvmesh, &
el%mesh_ref_array, ksint, idc, widc)

!Allocate electron transport coefficients
allocate(el_sigma(el%numbands, 3, 3), el_sigmaS(el%numbands, 3, 3), &
el_alphabyT(el%numbands, 3, 3), el_kappa0(el%numbands, 3, 3))

!Allocate phonon transport coefficients
allocate(ph_kappa(ph%numbands, 3, 3), ph_alphabyT(ph%numbands, 3, 3), &
dummy(ph%numbands, 3, 3))

tot_alphabyT_scalar = el_alphabyT_scalar + ph_alphabyT_scalar
KO_dev = 100.0_r64*abs(&
(el_sigmaS_scalar - tot_alphabyT_scalar)/tot_alphabyT_scalar)
Expand Down

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