mp-542054/Hg9P4O16/harm

Harmonic properties

../../_images/fig_bandos_pr9285.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13010.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9285.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29047.png

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

Summary

../../_images/fig_times16175.png

(a) Computation time