WIP: Fix consideration of translation symmetry for some (extremely rare) edge cases in LobsterEnv

src/pymatgen/electronic_structure/cohp.py

@@ -1042,6 +1042,17 @@ def is_spin_polarized(self) -> bool:
         """
         return self._is_spin_polarized
 
+    @property
+    def translation(self) -> list[int, int, int]:
+        """
+        Returns the translation vector with respect to the origin cell
+        as defined in LOBSTER.
+
+        Returns:
+            list[int, int, int]
+        """
+        return self._translation
+
     def icohpvalue(self, spin: Spin = Spin.up) -> float:
         """
         Args:

tests/electronic_structure/test_cohp.py

@@ -842,8 +842,8 @@ def setUp(self):
         self.cohp_lobster_forb = CompleteCohp.from_file("lobster", filename=filepath, structure_file=structure)
 
         # spinpolarized case:
-        filepath = f"{TEST_DIR}/environments/COHPCAR.lobster.mp-190.gz"
-        structure = f"{TEST_DIR}/environments/POSCAR.mp_190.gz"
+        filepath = f"{TEST_DIR}/environments/COHPCAR.lobster.mp-190_2.gz"
+        structure = f"{TEST_DIR}/environments/POSCAR.mp-190_2.gz"
         self.cohp_lobster_spin_polarized = CompleteCohp.from_file(
             "lobster", filename=filepath, structure_file=structure
         )
@@ -1273,8 +1273,8 @@ def setUp(self):
         structure = f"{TEST_DIR}/POSCAR.orbitalwise"
         self.cohp_orb = CompleteCohp.from_file("lobster", filename=filepath, structure_file=structure)
 
-        filepath = f"{TEST_DIR}/environments/COHPCAR.lobster.mp-190.gz"
-        structure = f"{TEST_DIR}/environments/POSCAR.mp_190.gz"
+        filepath = f"{TEST_DIR}/environments/COHPCAR.lobster.mp-190_2.gz"
+        structure = f"{TEST_DIR}/environments/POSCAR.mp-190_2.gz"
         self.cohp_lobster_spin_polarized = CompleteCohp.from_file(
             "lobster", filename=filepath, structure_file=structure
         )