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Defaults for ecutwfc and ecutrho #200

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Defaults for ecutwfc and ecutrho #200

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This PR adds default values for ecutwfc and ecutrho.

Recommended cutoffs for individual species come from aiida-pseudo; the final recommendation is calculated as the maximum of the recommended cutoffs for all of the species in the system at hand.

This comes with a strong warning that relying in these defaults is not recommended and it is better to perform a proper convergence test.

@elinscott elinscott changed the base branch from master to develop April 28, 2023 12:50
@elinscott elinscott changed the base branch from develop to master September 8, 2023 09:38
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