mp-556233-2/KAs4ClO6/harm

Equation of state

../../_images/fig_bm4299.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr8481.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11911.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8481.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28243.png

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

Summary

../../_images/fig_times14879.png

(a) Computation time