System: fcc Cu (111), 3 layers
! Ab initio
PREC = Normal              # Precision tag
EDIFF = 1e-6               # Break condition for the global, electronic SC step
IDIPOL = 3                 # Removes dipole effects from repeated images in z direction

! Smearing
ISMEAR = 1                 # First-order Methfessel-Paxton smearing
SIGMA = 0.2                # 0.2 eV smearing width

! Frequency
IBRION = 5                 # Finite differences
NFREE = 2                  # No. displacements for finite differences
NSW = 1                    # Positive number of ionic steps

! Machine learned force field
ML_LMLFF = T               # Turns on Machine learned force field (MLFF)
ML_MODE = run              # Sets MLFF mode to running, rather than training
