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remove statement of using scf bands
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AndresOrtegaGuerrero committed Nov 20, 2024
1 parent d976db4 commit 115f6a8
Showing 1 changed file with 0 additions and 4 deletions.
4 changes: 0 additions & 4 deletions src/aiida_quantumespresso/workflows/pdos.py
Original file line number Diff line number Diff line change
Expand Up @@ -440,10 +440,6 @@ def run_nscf(self):
nbnd = max(int(0.5 * nelectron * factor), int(0.5 * nelectron) + 4, nbands)
inputs.pw.parameters['SYSTEM']['nbnd'] = nbnd

else:
inputs.pw.parameters['SYSTEM']['nbnd'] = (
self.ctx.workchain_scf.outputs.output_parameters.base.attributes.get('number_of_bands')
)
inputs.pw.structure = self.inputs.structure

inputs.metadata.call_link_label = 'nscf'
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