From 2a9435805f8ff92f60b54ceae1819c9d70e92d15 Mon Sep 17 00:00:00 2001 From: AndresOrtegaGuerrero Date: Wed, 20 Nov 2024 08:43:38 +0000 Subject: [PATCH] using base attribute to get number_of_bands --- src/aiida_quantumespresso/workflows/pdos.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/aiida_quantumespresso/workflows/pdos.py b/src/aiida_quantumespresso/workflows/pdos.py index df48dd2c..f859af88 100644 --- a/src/aiida_quantumespresso/workflows/pdos.py +++ b/src/aiida_quantumespresso/workflows/pdos.py @@ -434,7 +434,7 @@ def run_nscf(self): if 'nbands_factor' in self.inputs: factor = self.inputs.nbands_factor.value - parameters = self.ctx.workchain_scf.outputs.output_parameters.get_dict() + parameters = self.ctx.workchain_scf.outputs.output_parameters.base.attributes.get('number_of_bands') nbands = int(parameters['number_of_bands']) nelectron = int(parameters['number_of_electrons']) nbnd = max(int(0.5 * nelectron * factor), int(0.5 * nelectron) + 4, nbands)