Table 1 Parameters for the two-body GAP term.
From: Machine-learned interatomic potentials for alloys and alloy phase diagrams
Parameter | Value | Comment |
|---|---|---|
Kernel | Gaussian | Functional form of kernel |
θ | 1.0 | Kernel length scale |
rcut | 6.0 Å | Cutoff distance |
Cutoff_transition_width | 1.0 Å | Cutoff smoothing length scale |
δ | 2.0 eV | Typical contribution to energy |
nsparse | 25 | Number of basis functions |
