mp-29955/Hg3Se2I2/harm

Harmonic properties

../../_images/fig_bandos_pr11046.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos14970.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11046.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc210770.png

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

Summary

../../_images/fig_times18865.png

(a) Computation time