Refactor Wavecar instantiation in generate_parchg function

wladerer · Feb 22, 2024 · c9dbea5 · c9dbea5
1 parent 96d99ca
commit c9dbea5
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/vsh/scripts/wavecar.py b/vsh/scripts/wavecar.py
@@ -51,7 +51,7 @@ def get_partial_charge_density(
 
 def generate_parchg(args):
     """Generates a PARCHG file from a WAVECAR file."""
-    wave = Wavecar(args.input, args.vasp_type)
+    wave = Wavecar(args.input, vasp_type=args.vasp_type)
     poscar = Poscar.from_file(args.structure)
 
     # sanitize the input