mp-5114/K6HgS4/harm

Harmonic properties

../../_images/fig_bandos_pr10260.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_thermo10260.png

(b) Thermodynamic properties

Force constants

../../_images/fig_fc210010.png

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

Summary

../../_images/fig_times17732.png

(a) Computation time