Table 4 Nested sampling parameters in the notation of ref. 41 for constant composition and sGC NS runs.
From: Machine-learned interatomic potentials for alloys and alloy phase diagrams
Parameter | Constant | |
|---|---|---|
Compos. | sGC | |
Total number of particles N | 96 | 64 |
Number of configurations K | 1080 | 1152 |
Number of evaluations per walk L | 640 | 1166 |
Positions steps (number × length) | 3 × 8 | 1 × 8 |
Cell steps (volume:shear:stretch) | 3:3:3 | 16:8:8 |
Swap steps | 6 | 8 |
Composition steps | 0 | 8 |
