Fig. 3: Optimization curves. | Nature Computational Science

Fig. 3: Optimization curves.

From: Transferable neural wavefunctions for solids

Fig. 3

Mean energy as a function of total optimization steps across all geometries and twists. Energies are the running average over the last 1,000 steps. Crosses mark final evaluation energies. a, Energy of 2 × 2 supercell of graphene. b, Mean energy of the potential energy surface of LiH in a 2 × 2 × 2 supercell.

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