Fix bad var name

materialsproject · Jun 4, 2023 · 16839ba · 16839ba
1 parent d6bd319
commit 16839ba
Showing 1 changed file with 2 additions and 2 deletions.
diff --git a/src/atomate2/vasp/sets/base.py b/src/atomate2/vasp/sets/base.py
@@ -919,7 +919,7 @@ def _set_u_params(incar, incar_settings, structure):
     # investigation it was determined that this would lead to a significant difference
     # between SCF -> NonSCF even without Hubbard U enabled. Thanks to Andrew Rosen for
     # investigating and reporting.
-    blocks = [site.specie.block for site in struct]
+    blocks = [site.specie.block for site in structure]
     if "LMAXMIX" not in incar_settings.keys():
         # contains f-electrons
         if "d" in blocks:
@@ -933,7 +933,7 @@ def _set_lmaxtau(incar, incar_settings, structure):
     """Modify LMAXTAU for use with LASPH."""
     # Set LMAXTAU = 8 if LASPH = True and there are f-electrons present
     # See VASP manual for more details.
-    blocks = [site.specie.block for site in struct]
+    blocks = [site.specie.block for site in structure]
     if incar_settings.get("LASPH", False) is True and "f" in blocks:
         incar["LMAXTAU"] = 8