v23.6.2
- Add
snb-mag
function, and automatically check the magnetisation fromISPIN = 2
OUTCAR
files when continuing
relaxations withsnb-run
(and change toISPIN = 1
if magnetisation is negligible). - Update handling of minimum distances and oxidation states, to deal with single-atom primitive unit cells and
systems wherepymatgen
cannot guess the oxidation state (e.g. single-elements, intermetallics etc). - Docs updates