diff --git a/abipy/dfpt/phonons.py b/abipy/dfpt/phonons.py index d193de7bd..141759fca 100644 --- a/abipy/dfpt/phonons.py +++ b/abipy/dfpt/phonons.py @@ -2387,7 +2387,7 @@ def from_pmg_bs(cls, pmg_bs: PhononBandStructureSymmLine, structure=None) -> Pho phfreqs.extend(pmg_bs.bands.T[start_index:b["end_index"] + 1]) if pmg_bs.has_eigendisplacements: e = pmg_bs.eigendisplacements[:, start_index:b["end_index"] + 1] - e = np.transpose(e, [0, 1, 2, 3]) + e = np.transpose(e, [1, 0, 2, 3]) e = np.reshape(e, e.shape[:-2] + (-1,)) phdispl_cart.extend(e) @@ -2400,7 +2400,6 @@ def from_pmg_bs(cls, pmg_bs: PhononBandStructureSymmLine, structure=None) -> Pho if not phdispl_cart: phdispl_cart = np.zeros((len(phfreqs), n_modes, n_modes)) else: - #print(phdispl_cart) phdispl_cart = np.array(phdispl_cart) na = None