mp-18115/K2Sn2Hg3S8/harm

Harmonic properties

../../_images/fig_bandos_pr13783.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18163.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13783.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213411.png

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

Summary

../../_images/fig_times23109.png

(a) Computation time