diff --git a/phonopyparser/fhiaims_io.py b/phonopyparser/fhiaims_io.py index 4d37d808f3f4a72e06b6dc1599a15c2a400f6df4..ff9a8204fd634f4b0c3a6d928e790feda786fe13 100644 --- a/phonopyparser/fhiaims_io.py +++ b/phonopyparser/fhiaims_io.py @@ -134,7 +134,8 @@ def read_forces_aims(cell_obj, supercell_matrix, displacement, sym, tol=1e-6, lo check_var = True break if not check_var: - raise Exception("No phonon calculations found") + logger.error("No phonon calculations found") + return set_of_forces, phonopy_obj, Relative_Path os.chdir("../") Relative_Path.append(aims_out) supercell_calculated = read_aims_output(aims_out) @@ -162,6 +163,6 @@ def read_forces_aims(cell_obj, supercell_matrix, displacement, sym, tol=1e-6, lo force -= drift_force / forces.shape[0] set_of_forces.append(forces) else: - raise Exception("calculated varies from expected supercell in FHI-aims output %s" % aims_out) + logger.error("calculated varies from expected supercell in FHI-aims output") return set_of_forces, phonopy_obj, Relative_Path