pass is_elmin_converged instead of inferring convergence

src/py4vasp/_raw/data.py

@@ -324,8 +324,8 @@ class OSZICAR:
     "All columns of the OSZICAR file stored for all ionic steps."
     label: VaspData
     "Label of all the data from the OSZICAR file."
-    EDIFF: VaspData
-    "EDIFF decides the energy converge of the SCF step."
+    is_elmin_converged: VaspData
+    "Is the electronic minimization step converged?"
 
 
 @dataclasses.dataclass

src/py4vasp/_raw/definition.py

@@ -383,7 +383,7 @@ def selections(quantity):
     required=raw.Version(6, 5),
     label="intermediate/ion_dynamics/oszicar_label",
     convergence_data="intermediate/ion_dynamics/oszicar",
-    EDIFF="/intermediate/ion_dynamics/EDIFF",
+    is_elmin_converged="/intermediate/ion_dynamics/electronic_step_converged",
 )
 #
 group = "intermediate/pair_correlation"

src/py4vasp/calculation/_OSZICAR.py

@@ -118,9 +118,5 @@ def to_graph(self, selection="E"):
 
     @_base.data_access
     def is_converged(self):
-        difference_energy = self._read(b"dE")
-        if self._more_than_one_ionic_step(difference_energy):
-            last_step_energy = [dE[-1] for dE in difference_energy]
-        else:
-            last_step_energy = difference_energy[-1]
-        return last_step_energy < self._raw_data.EDIFF
+        is_elmin_converged = self._raw_data.is_elmin_converged[self._steps]
+        return is_elmin_converged == 0.0