diff --git a/phonopy/api_gruneisen.py b/phonopy/api_gruneisen.py index 1564a5e4..320cfaba 100644 --- a/phonopy/api_gruneisen.py +++ b/phonopy/api_gruneisen.py @@ -109,9 +109,9 @@ class PhonopyGruneisen: self._mesh.get_gruneisen(), ) - def write_yaml_mesh(self): + def write_yaml_mesh(self, filename="gruneisen_mesh.yaml"): """Write mesh sampling calculation results to file in yaml.""" - self._mesh.write_yaml() + self._mesh.write_yaml(filename=filename) def write_hdf5_mesh(self): """Write mesh sampling calculation results to file in hdf5.""" @@ -159,9 +159,9 @@ class PhonopyGruneisen: band.get_gruneisen(), ) - def write_yaml_band_structure(self): + def write_yaml_band_structure(self, filename="gruneisen_band.yaml"): """Write band structure calculation results to file in yaml.""" - self._band_structure.write_yaml() + self._band_structure.write_yaml(filename=filename) def plot_band_structure(self, epsilon=1e-4, color_scheme=None): """Return pyplot of band structure calculation results."""