diff --git a/pyiron_atomistics/vasp/base.py b/pyiron_atomistics/vasp/base.py index 8b4e0b5cb..e4df21b1f 100644 --- a/pyiron_atomistics/vasp/base.py +++ b/pyiron_atomistics/vasp/base.py @@ -1240,7 +1240,7 @@ def set_convergence_precision( self.input.incar["EDIFFG"] = abs(ionic_energy_tolerance) else: # Using default convergence criterion - self.input.incar["EDIFFG"] = -0.01 + self.input.incar["EDIFFG"] = -0.01 if self.input.incar["ISIF"] not in (5, 6, 7) else 0.01 if electronic_energy is not None: self.input.incar["EDIFF"] = electronic_energy