mp-23534-2/KSn2I5/harm

Equation of state

../../_images/fig_bm6350.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr12731.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17109.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12731.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212427.png

(a) Force constants w.r.t atomic distance

Summary

../../_images/fig_times21605.png

(a) Computation time