Add from_prev_incar method.

Author: Shyue Ping Ong

pymatgen/io/vasp/sets.py

@@ -1281,6 +1281,22 @@ def incar(self) -> Incar:
                 incar[p] = self.prev_incar[p]
         return incar
 
+    @classmethod
+    def from_prev_calc(cls, prev_calc_dir, **kwargs):
+        """
+        Generate a set of VASP input files for static calculations from a directory of previous VASP run.
+
+        Args:
+            prev_calc_dir (str): Directory containing the outputs(
+                vasprun.xml and OUTCAR) of previous vasp run.
+            **kwargs: All kwargs supported by MatPESStaticSet, other than prev_incar
+                and prev_structure and prev_kpoints which are determined from
+                the prev_calc_dir.
+        """
+        vrun = sorted(f for f in os.listdir(prev_calc_dir) if f.startswith("vasprun.xml"))[-1]
+        v = Vasprun(os.path.join(prev_calc_dir, vrun))
+        return cls(v.final_structure, prev_incar=v.incar, **kwargs)
+
 
 class MPScanStaticSet(MPScanRelaxSet):
     """

tests/io/vasp/test_sets.py

@@ -847,6 +847,15 @@ def test_functionals(self):
             diff_potcar = MatPESStaticSet(self.struct, user_potcar_functional="PBE")
             assert str(diff_potcar.potcar[0]) == str(PotcarSingle.from_symbol_and_functional("Fe_pv", "PBE"))
 
+    def test_from_prev_calc(self):
+        vis = MatPESStaticSet.from_prev_calc(f"{TEST_FILES_DIR}/relaxation")
+        incar = vis.incar
+        assert incar["GGA"] == "Pe"
+        assert incar["ALGO"] == "Normal"
+        assert vis.potcar_symbols == ["Li_sv"]
+        assert vis.potcar.functional == "PBE_54"
+        assert vis.kpoints is None
+
 
 class TestMPNonSCFSet(PymatgenTest):
     def setUp(self):