Fig. 2: Prediction of the phonon dispersion curves for a 4-atom structure with 50 at.% Ag.
From: Machine-learned interatomic potentials for alloys and alloy phase diagrams
Both the RMS errors within parentheses represent the integrated error across all eigenvalues sampled on a 13 × 13 × 13 grid in the Brillouin zone. GAP and MTP both provide good approximations to the curves along the special path, although each makes different errors in over- and underestimating the eigenvalues at different k-points. Note that this configuration was not included in the fitting dataset (“Prediction” in the plot title).
