mp-625175/H3ClO5/harm

Harmonic properties

../../_images/fig_bandos_pr5864.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8561.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5864.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25660.png

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

Summary

../../_images/fig_times10695.png

(a) Computation time