fig2

Prediction of electron localization functions from superposed atomic densities for accelerated superhydride discovery

Figure 2. Distribution summary for the final high-pressure PBE ELF dataset. The panels report (A) cohesive energy per atom, (B) force magnitude, and (C) achieved density-functional-theory pressure. PBE: Perdew–Burke–Ernzerhof; ELF: electron localization function.

Journal of Materials Informatics
ISSN 2770-372X (Online)
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