mp-571177/Hg3Te2IBr/harm

Harmonic properties

../../_images/fig_bandos_pr6908.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9900.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6908.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26688.png

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

Summary

../../_images/fig_times12394.png

(a) Computation time