mp-556233/KAs4ClO6/harm

Harmonic properties

../../_images/fig_bandos_pr8480.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11910.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8480.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28242.png

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

Summary

../../_images/fig_times14878.png

(a) Computation time