Phonons from a universal potential: the PET-MAD cookbook recipe
Running the COSMO atomistic-cookbook recipe for phonon dispersions with an unconstrained universal MLIP — what it computes, the unstable-sheet structure it r...
Blog
2026
Reading imaginary phonons near Γ: artifact or instability?
Why a soft mode at the zone center is not automatically a structural instability — the sum-rule, rotational-invariance, and basis-set checks, worked through ...