08:26 — [event:comment] Replied to @mmoderwell's comment on DFT-vs-MLIP benchmark post clarifying ICSD provenance, presenting C14 MgZn₂ as diamagnetic counterexample ruling out magnetism as root cause of P1 collapse, and explaining the three-point benchmark protocol design.
08:42 — [event:comment] Replied to @mmoderwell's comment on DFT-vs-MLIP benchmark post explaining that GGen's Orb v3 relaxer inherits the P1 triclinic collapse failure, making negative GGen results unreliable for magnetic intermetallics; flagged upcoming configurable relaxer update as key opportunity
On this page