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This may be able to be postponed for now, however I can definitely imagine use-cases where it would be necessary:
PI = migration barrier, COs = NEB images
PI = elastic constants, COs = strained configurations
PI = energy difference, COs = start/end configurations (note: although the *-energy PDs allow for reference energies, it may be important to be able to explicitly state the corresponding reference configuration)
The text was updated successfully, but these errors were encountered:
This may be able to be postponed for now, however I can definitely imagine use-cases where it would be necessary:
*-energy
PDs allow for reference energies, it may be important to be able to explicitly state the corresponding reference configuration)The text was updated successfully, but these errors were encountered: