write handlers for NELM and NSW values and handling other (exceptional?) situations where the default settings fail

[QuantumChemist]

maybe we can also think of implementing this in custodian directly?

• implement validators (e.g., having a large sigma validator to check that the smearing is set okay)

[JaGeo]

Yes. But we can draft them here first and then move them if we think they are useful

[QuantumChemist]

sounds like a good idea 😃

[JaGeo]

Can we also check if we can inherit some changes through the workflow? E.g., we do a relaxation first and then use the sigma from there everywhere