diff --git a/emmet-core/emmet/core/vasp/validation.py b/emmet-core/emmet/core/vasp/validation.py index 89001bf81a..a27116c6eb 100644 --- a/emmet-core/emmet/core/vasp/validation.py +++ b/emmet-core/emmet/core/vasp/validation.py @@ -130,7 +130,7 @@ def from_task_doc( ] max_gradient = np.max(np.gradient(energies)[skip:]) data["max_gradient"] = max_gradient - if max_gradient > SETTINGS.VASP_MAX_SCF_GRADIENT: + if max_gradient > max_allowed_scf_gradient: reasons.append(DeprecationMessage.MAX_SCF) doc = ValidationDoc(