Do not set nbnd for pdos workchain to avoid conflict with `nbands_f…

…actor` (aiidalab#1000) Since `nbands_factor` is used in PdosWorkChain, thus we should not set `nbnd` anymore.
edan-bainglass · Dec 18, 2024 · 85ceafc · 85ceafc
1 parent 9522470
commit 85ceafc
Showing 1 changed file with 0 additions and 5 deletions.
diff --git a/src/aiidalab_qe/plugins/pdos/workchain.py b/src/aiidalab_qe/plugins/pdos/workchain.py
@@ -124,11 +124,6 @@ def get_builder(codes, structure, parameters, **kwargs):
 def update_inputs(inputs, ctx):
     """Update the inputs using context."""
     inputs.structure = ctx.current_structure
-    inputs.nscf.pw.parameters = inputs.nscf.pw.parameters.get_dict()
-    if ctx.current_number_of_bands:
-        inputs.nscf.pw.parameters.setdefault("SYSTEM", {}).setdefault(
-            "nbnd", ctx.current_number_of_bands
-        )
 
 
 workchain_and_builder = {