fix conversion from pmg phonon bs

abinit · Sep 11, 2023 · 97c167f · 97c167f
1 parent cc34246
commit 97c167f
Showing 1 changed file with 1 addition and 2 deletions.
diff --git 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