Create options for unit conversion factors of gamma and ph-ph interactin strength

anharmonic/phonon3/__init__.py

@@ -384,6 +384,7 @@ class Phono3py:
             grid_points=None,
             boundary_mfp=None, # in micrometre
             average_pp_interaction=False,
+            gamma_unit_conversion=None,
             mesh_divisors=None,
             coarse_mesh_shifts=None,
             is_reducible_collision_matrix=False,
@@ -429,6 +430,7 @@ class Phono3py:
                 grid_points=grid_points,
                 boundary_mfp=boundary_mfp,
                 average_pp_interaction=average_pp_interaction,
+                gamma_unit_conversion=gamma_unit_conversion,
                 mesh_divisors=mesh_divisors,
                 coarse_mesh_shifts=coarse_mesh_shifts,
                 no_kappa_stars=no_kappa_stars,

anharmonic/phonon3/conductivity_RTA.py

@@ -17,6 +17,7 @@ def get_thermal_conductivity_RTA(
         is_isotope=False,
         boundary_mfp=None, # in micrometre
         average_pp_interaction=False,
+        gamma_unit_conversion=None,
         mesh_divisors=None,
         coarse_mesh_shifts=None,
         no_kappa_stars=False,
@@ -38,6 +39,7 @@ def get_thermal_conductivity_RTA(
                           mass_variances=mass_variances,
                           boundary_mfp=boundary_mfp,
                           average_pp_interaction=average_pp_interaction,
+                          gamma_unit_conversion=gamma_unit_conversion,
                           mesh_divisors=mesh_divisors,
                           coarse_mesh_shifts=coarse_mesh_shifts,
                           no_kappa_stars=no_kappa_stars,
@@ -236,6 +238,7 @@ class Conductivity_RTA(Conductivity):
                  mass_variances=None,
                  boundary_mfp=None, # in micrometre
                  average_pp_interaction=False,
+                 gamma_unit_conversion=None,
                  mesh_divisors=None,
                  coarse_mesh_shifts=None,
                  no_kappa_stars=False,
@@ -269,6 +272,7 @@ class Conductivity_RTA(Conductivity):
         self._gv = None
         self._gamma = None
         self._gamma_iso = None
+        self._gamma_unit_conversion = gamma_unit_conversion
         self._use_mspp = average_pp_interaction
         self._mean_square_pp_strength = None
         self._num_ignored_phonon_modes = None
@@ -411,7 +415,9 @@ class Conductivity_RTA(Conductivity):
         self._num_ignored_phonon_modes = np.zeros((len(self._sigmas),
                                                    len(self._temperatures)),
                                                   dtype='intc')
-        self._collision = ImagSelfEnergy(self._pp)
+        self._collision = ImagSelfEnergy(
+            self._pp,
+            unit_conversion=self._gamma_unit_conversion)
         
     def _set_gamma_at_sigmas(self, i):
         for j, sigma in enumerate(self._sigmas):

scripts/phono3py

@@ -123,6 +123,7 @@ parser.set_defaults(band_indices=None,
                     frequency_pitch=None,
                     frequency_points=None,
                     freq_scale=None,
+                    gamma_unit_conversion=None,
                     grid_addresses=None,
                     grid_points=None,
                     gv_delta_q=None,
@@ -165,6 +166,7 @@ parser.set_defaults(band_indices=None,
                     read_fc3=False,
                     read_gamma=False,
                     output_filename=None,
+                    pp_unit_conversion=None,
                     qpoints=None,
                     quiet=False,
                     scattering_event_class=None,
@@ -248,6 +250,9 @@ parser.add_option("--freq_pitch", dest="frequency_pitch", type="float",
                   help="Pitch in frequency for spectrum")
 parser.add_option("--freq_points", dest="frequency_points", type="int",
                   help="Number of sampling points for spectrum")
+parser.add_option("--gamma_unit_conversion", dest="gamma_unit_conversion",
+                  type="float",
+                  help="Conversion factor for gamma")
 parser.add_option("--gp", "--grid_points", dest="grid_points", type="string",
                   help="Fixed grid points where anharmonic properties are calculated")
 parser.add_option("--ga", "--grid_addresses", dest="grid_addresses", type="string",
@@ -302,6 +307,9 @@ parser.add_option("--pinv_cutoff", dest="pinv_cutoff", type="float",
                   help="Cutoff frequency (THz) for pseudo inversion of collision matrix")
 parser.add_option("--pm", dest="is_plusminus_displacements", action="store_true",
                   help="Set plus minus displacements")
+parser.add_option("--pp_unit_conversion", dest="pp_unit_conversion",
+                  type="float",
+                  help="Conversion factor for ph-ph interaction")
 parser.add_option("--qpoints", dest="qpoints", type="string",
                   help="Calculate at specified q-points")
 parser.add_option("--q_direction", dest="q_direction", type="string",
@@ -1083,7 +1091,8 @@ phono3py.set_phph_interaction(
     nac_params=nac_params,
     nac_q_direction=nac_q_direction,
     constant_strength=settings.get_constant_pp_strength(),
-    frequency_scale_factor=frequency_scale_factor)
+    frequency_scale_factor=frequency_scale_factor,
+    unit_conversion=options.pp_unit_conversion)
 
 if settings.get_is_linewidth():
     phono3py.run_linewidth(
@@ -1106,6 +1115,7 @@ elif settings.get_is_bterta() or settings.get_is_lbte():
         grid_points=grid_points,
         boundary_mfp=settings.get_boundary_mfp(),
         average_pp_interaction=settings.get_average_pp_interaction(),
+        gamma_unit_conversion=options.gamma_unit_conversion,
         mesh_divisors=mesh_divs,
         coarse_mesh_shifts=settings.get_coarse_mesh_shifts(),
         is_reducible_collision_matrix=options.is_reducible_collision_matrix,