adding nbands_factor logic into PdosWorkChain #1044
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superstar54
approved these changes
Nov 20, 2024
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In this PR, we introduce a new input parameter, nbands_factor, to the PdosWorkChain. This parameter replicates the functionality available in the BandsWorkChain, allowing the calculation of additional bands during the PwCalculation (NSCF). It ensures that an appropriate number of extra bands are computed. This enhancement provides more flexibility and consistency in band structure and PDOS workflows.
This address #1043