mp-673798-2/K3ClO/harm

Harmonic properties

../../_images/fig_bandos_pr5415.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7816.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5415.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25220.png

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

Summary

../../_images/fig_times9815.png

(a) Computation time