Fig. 5: Minimum energy layer spacing of graphite using different models. | npj Computational Materials

Fig. 5: Minimum energy layer spacing of graphite using different models.

From: Exploring the configuration space of elemental carbon with empirical and machine learned interatomic potentials

Fig. 5

Potential energy of the graphite AB structure as a function of lattice parameters a and c, represented in the inset of panel a. Calculated using GAP-20 (panel a), GAP-20U (panel b), our re-trained potential including more graphite structures, GAP-20U+gr (panel c) and DFT (panel d). Symbols in panel c represent lattice parameters of the graphite configurations we added to the training set.

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