diff --git a/src/atomate2/vasp/sets/BaseMPGGASet.yaml b/src/atomate2/vasp/sets/BaseMPGGASet.yaml
index 06fddf31b3..c7e7ce3d70 100644
--- a/src/atomate2/vasp/sets/BaseMPGGASet.yaml
+++ b/src/atomate2/vasp/sets/BaseMPGGASet.yaml
@@ -199,6 +199,8 @@ POTCAR:
   W: W_pv
   Xe: Xe
   Y: Y_sv
-  Yb: Yb_2
+  # 2023-05-02: change Yb_2 to Yb_3 as latter gives incorrect thermodynamics for most systems with Yb3+
+  # https://github.com/materialsproject/pymatgen/issues/2968
+  Yb: Yb_3
   Zn: Zn
   Zr: Zr_sv
diff --git a/src/atomate2/vasp/sets/BaseVaspSet.yaml b/src/atomate2/vasp/sets/BaseVaspSet.yaml
index 7a19bf3888..192cfa2343 100644
--- a/src/atomate2/vasp/sets/BaseVaspSet.yaml
+++ b/src/atomate2/vasp/sets/BaseVaspSet.yaml
@@ -74,9 +74,9 @@ INCAR:
   LDAUPRINT: 1
   LREAL: False
   LMIXTAU: True
-  LCHARG: True  # Output CHGCAR
-  LAECHG: True  # Output AECCAR
-  LELF: False  # Don't output ELFCAR by default as it breaks KPAR
+  LCHARG: True # Output CHGCAR
+  LAECHG: True # Output AECCAR
+  LELF: False # Don't output ELFCAR by default as it breaks KPAR
   LWAVE: False # Don't output WAVECAR
   LVTOT: True # Output LOCPOT
   MAGMOM:
@@ -213,6 +213,8 @@ POTCAR:
   W: W_sv
   Xe: Xe
   Y: Y_sv
-  Yb: Yb_2
+  # 2023-05-02: change Yb_2 to Yb_3 as latter gives incorrect thermodynamics for most systems with Yb3+
+  # https://github.com/materialsproject/pymatgen/issues/2968
+  Yb: Yb_3
   Zn: Zn
   Zr: Zr_sv