Fixed orbital map in FHIaims

nomad-coe · Oct 23, 2023 · 6dd1e27 · 6dd1e27
1 parent 031cbb9
commit 6dd1e27
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/electronicparsers/fhiaims/parser.py b/electronicparsers/fhiaims/parser.py
@@ -845,7 +845,7 @@ def __init__(self):
             'Hirshfeld volume': 'x_fhi_aims_hirschfeld_volume'
         }
 
-        self.orbital_lm_map = ['s', 'p', 'd', 'f', 'g']
+        self.orbital_lm_map = ['s', 'p', 'd', 'f', 'g', 'h']  # ask devs about 'g' and 'h' orbitals (?)
 
         self._gw_flag_map = {
             'gw': 'G0W0',