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First principles predictions of lattice dynamics are of vital importance fora broad range of topics in materials science and condensed matter physics. Thelarge-scale nature of lattice dynamics calculations and the desire to designnovel materials with distinct properties demands that first principlespredictions are accurate, transferable, efficient, and reliable for a widevariety of materials. In this work, we demonstrate that the recentlyconstructed r2SCAN density functional meets this need for general systems bydemonstrating phonon dispersions for typical systems with distinct chemicalcharacteristics. The functional's performance opens a door for phonon-mediatedmaterials discovery from first principles calculations.

Reliable lattice dynamics from an efficient density functional