Fixed units of spectral alpha/T.

nakib · Sep 25, 2023 · b5b2cd3 · b5b2cd3
1 parent ea9dd33
commit b5b2cd3
Show file tree

Hide file tree

Showing 2 changed files with 12 additions and 5 deletions.
diff --git a/src/bte.f90 b/src/bte.f90
@@ -1450,6 +1450,7 @@ subroutine post_process(self, num, crys, sym, ph, el)
        call calculate_spectral_transport_coeff(el, 'E', crys%T, el%spindeg, el%chempot, el%ens, &
             el%vels, crys%volume, self%el_response_E, el_en_grid, num%tetrahedra, sym, &
             el_alphabyT, el_sigma)
+       el_alphabyT = el_alphabyT/crys%T
 
        !  Write spectral electron alpha/T
        call write2file_spectral_tensor('RTA_el_alphabyT_spectral_', el_alphabyT, el%bandlist)
@@ -1468,6 +1469,7 @@ subroutine post_process(self, num, crys, sym, ph, el)
        call calculate_spectral_transport_coeff(el, 'E', crys%T, el%spindeg, el%chempot, el%ens, &
             el%vels, crys%volume, self%el_response_E, el_en_grid, num%tetrahedra, sym, &
             el_alphabyT, el_sigma)
+       el_alphabyT = el_alphabyT/crys%T
 
        !  Write spectral electron alpha/T
        call write2file_spectral_tensor('nodrag_iterated_el_alphabyT_spectral_', el_alphabyT, el%bandlist)
@@ -1621,11 +1623,13 @@ subroutine post_process(self, num, crys, sym, ph, el)
        !  Allocate spectral transport coefficients
        allocate(el_sigma(el%numbands, 3, 3, num%el_en_num), &
             el_alphabyT(el%numbands, 3, 3, num%el_en_num))
+       el_alphabyT = el_alphabyT/crys%T
 
        !  Calculate spectral function
        call calculate_spectral_transport_coeff(el, 'E', crys%T, el%spindeg, el%chempot, el%ens, &
             el%vels, crys%volume, self%el_response_E, el_en_grid, num%tetrahedra, sym, &
             el_alphabyT, el_sigma)
+       el_alphabyT = el_alphabyT/crys%T
 
        !  Write spectral electron alpha/T
        call write2file_spectral_tensor('partdcpl_iterated_el_alphabyT_spectral_', el_alphabyT, el%bandlist)
@@ -1688,11 +1692,13 @@ subroutine post_process(self, num, crys, sym, ph, el)
        !  Allocate spectral transport coefficients
        allocate(el_sigma(el%numbands, 3, 3, num%el_en_num), &
             el_alphabyT(el%numbands, 3, 3, num%el_en_num))
+       el_alphabyT = el_alphabyT/crys%T
 
        !  Calculate spectral function
        call calculate_spectral_transport_coeff(el, 'E', crys%T, el%spindeg, el%chempot, el%ens, &
             el%vels, crys%volume, self%el_response_E, el_en_grid, num%tetrahedra, sym, &
             el_alphabyT, el_sigma)
+       el_alphabyT = el_alphabyT/crys%T
 
        !  Write spectral electron alpha/T
        call write2file_spectral_tensor('drag_iterated_el_alphabyT_spectral_', el_alphabyT, el%bandlist)
@@ -1753,6 +1759,7 @@ subroutine post_process(self, num, crys, sym, ph, el)
        !  Calculate spectral function
        call calculate_spectral_transport_coeff(ph, 'E', crys%T, 1_i64, 0.0_r64, ph%ens, ph%vels, &
             crys%volume, self%ph_response_E, ph_en_grid, num%tetrahedra, sym, ph_alphabyT, dummy)
+       ph_alphabyT = ph_alphabyT/crys%T
 
        !  Write spectral phonon kappa
        call write2file_spectral_tensor('drag_iterated_ph_alphabyT_spectral_', ph_alphabyT)

diff --git a/src/bz_sums.f90 b/src/bz_sums.f90
@@ -609,7 +609,7 @@ subroutine calculate_transport_coeff(species_prefix, field, T, deg, chempot, ens
     ! W/m/K for thermal conductivity
     ! 1/Omega/m for charge conductivity
     ! V/K for thermopower
-    ! A/m/K for alpha/T
+    ! A/m for alpha
     trans_coeff_hc = A_hc*trans_coeff_hc
     if(A_cc /= 0.0_r64) trans_coeff_cc = A_cc*trans_coeff_cc
 
@@ -762,10 +762,10 @@ subroutine calculate_spectral_transport_coeff(species, field, T, deg, chempot, &
        end do !ib
     end do !ik
     !Units:
-    ! W/m/K/eV for thermal conductivity
-    ! 1/Omega/m/eV for charge conductivity
-    ! V/K/eV for thermopower
-    ! A/m/K/eV for alpha/T
+    ! W/m/K/eV for spectral thermal conductivity
+    ! 1/Omega/m/eV for spectral charge conductivity
+    ! V/K/eV for spectral thermopower
+    ! A/m/eV for spectral alpha
     trans_coeff_hc = A_hc*trans_coeff_hc
     if(A_cc /= 0.0_r64) trans_coeff_cc = A_cc*trans_coeff_cc