add phel test to the gitactions workflows

Author: jcoulter12

.github/workflows/buildandtest.yml

@@ -40,7 +40,7 @@ jobs:
       - name: Install Clang
         if: ${{ startsWith(matrix.compiler, 'Clang') }}
         run: |
-          sudo apt install -y clang-16 #-${{ steps.extract_matrix.outputs.CC_VERSION }}
+          sudo apt install -y clang #-${{ steps.extract_matrix.outputs.CC_VERSION }}
           sudo apt install -y libomp-dev #${{ steps.extract_matrix.outputs.CC_VERSION }}-dev
       - name: Configure
         run: |
@@ -137,6 +137,7 @@ jobs:
           mpirun -np 4 --oversubscribe ../../../build/phoebe -ps 2 -in electronLifetimes.in
           cd ../
           python3 reference/run_check.py
+      # run coupled BTE ------------------
       - name: Run coupled BTE example with MPI
         if: ${{ matrix.compiler == 'GCC' && matrix.mpi == 'ON' && matrix.omp == 'OFF' }}
         working-directory: example/Silicon-coupled
@@ -148,3 +149,10 @@ jobs:
         run: |
           mpirun -np 4 --oversubscribe ../../build/phoebe -in coupledTransport.in
           python3 reference/run_check.py
+      # run rta kappa with phph and phel ------------------
+      - name: Run RTA kappa with phph and phel
+        if: ${{ matrix.compiler == 'GCC' && matrix.mpi == 'ON' && matrix.omp == 'ON' }}
+        working-directory: example/Silicon-ph/kappa_phph-phel/
+        run: |
+          mpirun -np 2 --oversubscribe ../../../build/phoebe -in phononTransport.in
+          python3 reference/run_check.py

.github/workflows/buildandtest_push.yaml

@@ -132,6 +132,7 @@ jobs:
           mpirun -np 4 --oversubscribe ../../../build/phoebe -ps 2 -in electronLifetimes.in
           cd ../
           python3 reference/run_check.py
+      # run coupled BTE ------------------
       - name: Run coupled BTE example with MPI
         if: ${{ matrix.compiler == 'GCC' && matrix.mpi == 'ON' && matrix.omp == 'OFF' }}
         working-directory: example/Silicon-coupled
@@ -143,3 +144,10 @@ jobs:
         run: |
           mpirun -np 4 --oversubscribe ../../build/phoebe -in coupledTransport.in
           python3 reference/run_check.py
+      # run rta kappa with phph and phel ------------------
+      - name: Run RTA kappa with phph and phel
+        if: ${{ matrix.compiler == 'GCC' && matrix.mpi == 'ON' && matrix.omp == 'ON' }}
+        working-directory: example/Silicon-ph/kappa_phph-phel/
+        run: |
+          mpirun -np 2 --oversubscribe ../../../build/phoebe -in phononTransport.in
+          python3 reference/run_check.py

example/Silicon-coupled/coupledTransport.in

@@ -3,7 +3,6 @@ phFC2FileName = "../Silicon-el/qe-elph/silicon.fc"
 sumRuleFC2 = "crystal"
 electronH0Name = "../Silicon-el/qe-elph/si_tb.dat",
 elphFileName = "../Silicon-el/qe-elph/silicon.phoebe.elph.hdf5"
-#wsVecFileName = "../Silicon-el/qe-elph/si_wsvec.dat"
 
 # phonon-phonon files
 phFC3FileName = "../Silicon-ph/thirdorder.py-anharmonic/FORCE_CONSTANTS_3RD"