improve docstr of large sigma handler

materialsproject · May 9, 2024 · 39f437e · 39f437e
1 parent 2cf322c
commit 39f437e
Showing 1 changed file with 3 additions and 2 deletions.
diff --git a/custodian/vasp/handlers.py b/custodian/vasp/handlers.py
@@ -1266,8 +1266,9 @@ def __init__(self, *args, **kwargs) -> None:
 
 class LargeSigmaHandler(ErrorHandler):
     """
-    When ISMEAR > 0 (Methfessel-Paxton), monitor the magnitude of the entropy
-    term T*S in the OUTCAR file. If the entropy term is larger than 1 meV/atom, reduce the
+    When ISMEAR >= 0 (Methfessel-Paxton order ISMEAR; order-0 is equivalent to Gaussian smearing),
+    monitor the magnitude of the entropy term `eentropy` in the vasprun.xml ionic steps.
+    If the entropy term is larger than 1 meV/atom, reduce the
     value of SIGMA. See VASP documentation for ISMEAR.
     """