mp-553948/Tl4Hg3Sb2As8S20/harm

Harmonic properties

../../_images/fig_bandos_pr9217.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12926.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9217.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28979.png

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

Summary

../../_images/fig_times16074.png

(a) Computation time