diff --git a/anharmonic/phonon3/imag_self_energy.py b/anharmonic/phonon3/imag_self_energy.py index b704543d..7fa8c915 100644 --- a/anharmonic/phonon3/imag_self_energy.py +++ b/anharmonic/phonon3/imag_self_energy.py @@ -74,7 +74,7 @@ class ImagSelfEnergy: if self._cutoff_frequency is None: return self._imag_self_energy else: # Averaging imag-self-energies by degenerate bands - imag_se = self._imag_self_energy + imag_se = np.zeros_like(self._imag_self_energy) freqs = self._frequencies[self._grid_point] deg_sets = degenerate_sets(freqs) # such like [[0,1], [2], [3,4,5]] for dset in deg_sets: @@ -85,10 +85,12 @@ class ImagSelfEnergy: if len(bi_set) > 0: for i in bi_set: if self._fpoints is None: - imag_se[i] = imag_se[bi_set].sum() / len(bi_set) + imag_se[i] = (self._imag_self_energy[bi_set].sum() / + len(bi_set)) else: - imag_se[:, i] = (imag_se[:, bi_set].sum(axis=1) / - len(bi_set)) + imag_se[:, i] = ( + self._imag_self_energy[:, bi_set].sum(axis=1) / + len(bi_set)) return imag_se