mp-725977/K2HgS4/harm

Harmonic properties

../../_images/fig_bandos_pr4196.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_thermo4196.png

(b) Thermodynamic properties

Force constants

../../_images/fig_fc24009.png

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

Summary

../../_images/fig_times7384.png

(a) Computation time