We read every piece of feedback, and take your input very seriously.
To see all available qualifiers, see our documentation.
There was an error while loading. Please reload this page.
1 parent 5cdfc20 commit 09c8294Copy full SHA for 09c8294
express/properties/non_scalar/bandgaps.py
@@ -157,7 +157,7 @@ def _find_gap(
157
Returns:
158
tuple: a (gap, k1, k2) tuple where k1 and k2 are the indices of the valence and conduction k-points.
159
"""
160
- if occupations.ptp() > 0:
+ if np.ptp(occupations) > 0:
161
# Some band must be crossing fermi-level. Hence, we return zero for band gap and the actual k-points
162
kv = kc = occupations.argmax()
163
return 0.0, kv, kc
0 commit comments