Modify fix for phonon bs plotter to support older pymatgen versions

SMTG-Bham · Jan 10, 2024 · f421905 · f421905
1 parent b7fe5af
commit f421905
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diff --git a/CHANGELOG.rst b/CHANGELOG.rst
@@ -1,6 +1,13 @@
 Change Log
 ==========
 
+v2.3.7
+------
+
+Bugfixes:
+
+- Fixed bug with sumo-phonon-bandplot and recent versions of pymatgen (@utf, #227)
+
 v2.3.6
 ------
 

diff --git a/sumo/plotting/phonon_bs_plotter.py b/sumo/plotting/phonon_bs_plotter.py
@@ -156,7 +156,7 @@ def _plot_lines(data, ax, color=None, alpha=1, zorder=1):
 
             # nd is branch index, nb is band index, nk is kpoint index
             for nd, nb in itertools.product(
-                range(len(data["distances"])), range(self.n_bands)
+                range(len(data["distances"])), range(self._bs.nb_bands)
             ):
                 f = freqs[nd][nb]
 
@@ -176,7 +176,7 @@ def _plot_lines(data, ax, color=None, alpha=1, zorder=1):
                 # raise Exception(bs.qpoints)
             json_plotter = PhononBSPlotter(bs)
             json_data = json_plotter.bs_plot_data()
-            if json_plotter.n_bands != self.n_bands:
+            if json_plotter.n_bands != self._bs.nb_bands:
                 raise Exception(
                     f"Number of bands in {bs_json} does not match main plot"
                 )