Smearing inputs in BandsWorkChain

[lan496]

The current BandsWorkChain takes inputs.smearing.(gaussian|sigma) to control ISMEAR and SIGMA.

aiida-vasp/aiida_vasp/workchains/bands.py

Lines 31 to 32 in c41eef0

	spec.input('smearing.gaussian', valid_type=get_data_class('bool'), required=False, default=lambda: get_data_node('bool', True))
	spec.input('smearing.sigma', valid_type=get_data_class('float'), required=False, default=lambda: get_data_node('float', 0.05))

If I understand correctly, theinputs.smearing namespace is fed to inherit_and_merge_parameters. Then, the same overriding can be archived just by setting Workflow input parameter inputs.parameters.smearing.

aiida-vasp/aiida_vasp/workchains/bands.py

Line 143 in c41eef0

parameters = inherit_and_merge_parameters(self.inputs)

I think that moving inputs.smearing to inputs.bands.smearing is more flexible and composable because a higher workchain like MasterWorkChain can control smearing parameters via bands namespace.

I will create PR if it makes sense.