mp-555918/Hg2SeO3/harm

Harmonic properties

../../_images/fig_bandos_pr8707.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12237.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8707.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28468.png

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

Summary

../../_images/fig_times15256.png

(a) Computation time