Add an LMAXTAU fix

materialsproject · Jun 5, 2023 · 6f66544 · 6f66544
1 parent a793115
commit 6f66544
Showing 1 changed file with 1 addition and 0 deletions.
diff --git a/src/atomate2/vasp/sets/base.py b/src/atomate2/vasp/sets/base.py
@@ -938,6 +938,7 @@ def _set_lmaxtau(incar, incar_settings, structure):
     if (
         "LMAXTAU" not in incar_settings
         and incar_settings.get("LASPH", False)
+        and incar_settings.get("METAGGA") 
         and "f" in blocks
     ):
         incar["LMAXTAU"] = 8