Table 7 The training coefficients for the components

From: Neural network potentials with effective charge separation for non-equilibrium dynamics of ionic solids: a ZnO case study

 

α

β

γ

Buck + Coul

1.0

0.1

0.025

Buck

8.0

0.1

0.025

DFTres Transfer

0.5

0.5

0.002

DFTres

Fine-tuning

0.6

0.4

0.005

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