Table 1 Summary of the errors for energy (E, in meV/atom) and volume (V, in Å3/atom) of the converged relaxation compared to PBE results

From: Universal machine learning interatomic potentials are ready for phonons

Model

Failed (%)

MAE(E)

MAE(V)

M3GNet

0.12

33

0.516

CHGNet

0.09

334

0.518

MACE-MP-0

0.14

31

0.392

SevenNet-0

0.15

31

0.283

MatterSim-v1

0.10

29

0.244

ORB

0.82

31

0.082

eqV2-M

0.85

33

0.084

PBESol

–

–

1.283

  1. We list mean absolute errors (MAE) as well as the percentage of failed (F) to converge.
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