mp-1223812/K3ClO/harm

Harmonic properties

../../_images/fig_bandos_pr15354.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19722.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15353.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214957.png

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

Summary

../../_images/fig_times25390.png

(a) Computation time