mp-625172/H3ClO5/harm

Harmonic properties

../../_images/fig_bandos_pr5862.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8559.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5862.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25658.png

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

Summary

../../_images/fig_times10693.png

(a) Computation time