k-point mesh
How finely reciprocal space is sampled.
Core knows every mesh a structure can have, in order, with the k-distance, k-line-density and k-points-per-atom each one corresponds to. A model does not predict a mesh; it predicts one quantity on that ladder and Core finds the rung.
| Quantity | What it is | Model |
|---|---|---|
k_distance |
Largest spacing between adjacent k-points, Å⁻¹ | QRF95, historical |
k_index |
Position in the ordered table of meshes | none yet |
k_line_density |
k-points per unit reciprocal length | none |
k_pra |
k-points per reciprocal atom | none |
QRF95 was fitted for a published study rather than in this repository, so it carries a citation — dataset, reference calculations and training code — in place of results measured here.
Core's side
Core owns the ladder and the conversion onto it, and nothing else. Feature extraction and inference belong here. Core's current k-index path does both itself, which is what the inference seam replaces.
Two datasets can both call a column "k-distance" and differ by a factor of 2π. Nothing in the number says which. This is why a model declares a target contract rather than a column name.