Merge pull request #28 from wuz75/rpafix

updated RPA calculation parsing when ALGO=CHI

Author: shyuep

src/pymatgen/io/vasp/outputs.py

@@ -670,7 +670,11 @@ def dielectric(self) -> tuple[list, list, list]:
             real_partyz, real_partxz]], [[imag_partxx, imag_partyy, imag_partzz,
             imag_partxy, imag_partyz, imag_partxz]]).
         """
-        return self.dielectric_data["density"]
+        keys=self.dielectric_data.keys()
+        if "density" not in keys:
+            return self.dielectric_data['INVERSE MACROSCOPIC DIELECTRIC TENSOR (including local field effects in RPA (Hartree))']
+        else:
+            return self.dielectric_data["density"]
 
     @property
     def optical_absorption_coeff(self) -> list[float] | None:
@@ -711,7 +715,8 @@ def converged_electronic(self) -> bool:
         )
         # In a response function run there is no ionic steps, there is no SCF step
         if final_elec_steps == 0:
-            raise ValueError("there is no ionic step in response function ALGO=CHI.")
+            final_elec_steps=[]
+            warnings.warn("there is no ionic step in response function ALGO=CHI.")
 
         if self.incar.get("LEPSILON"):
             idx = 1
@@ -1358,6 +1363,7 @@ def update_charge_from_potcar(self, path: PathLike | bool) -> None:
             "G0W0",
             "GW",
             "BSE",
+            "CHI",
             # VASP renamed the GW tags in v6.
             "QPGW",
             "QPGW0",