Convergence criteria

Energy convergence is measured per atom over a tail of at least three k-point calculations.

Label	Maximum energy variation
Medium	5 meV/atom
Well	3 meV/atom
Ultra	1 meV/atom

For each label, the selected kindex is the smallest point whose remaining tail satisfies the threshold.

Kindex meaning

Kindex follows the current gamma-inclusive schedule. For one structure, an index maps deterministically to one distinct k-point mesh. Because lattice geometry changes that mapping, comparisons between pseudopotential campaigns use the actual mesh dimensions rather than assuming that equal numerical kindices mean equal meshes.

Changing the schedule changes the scientific data contract and requires regenerating dependent training data and models.