diff --git a/doped/interface/fermi_solver.py b/doped/interface/fermi_solver.py index 070c940a..b7fa4601 100644 --- a/doped/interface/fermi_solver.py +++ b/doped/interface/fermi_solver.py @@ -1777,8 +1777,8 @@ def _parse_and_check_grid_like_chempots(self, chempots: Optional[dict] = None) - def min_max_X( self, target: str, - min_or_max: str, - chempots: dict, + min_or_max: str = "max", + chempots: Optional[dict] = None, annealing_temperature: Optional[float] = None, quenched_temperature: float = 300, temperature: float = 300, @@ -1897,7 +1897,7 @@ def min_max_X( """ # Determine the dimensionality of the chemical potential space chempots, el_refs = self._parse_and_check_grid_like_chempots(chempots) - n_chempots = len(chempots["elemental_refs"]) + n_chempots = len(el_refs) # Call the appropriate method based on dimensionality if n_chempots == 2: