mp-1105779/ZnHg3S2Cl4/harm

Harmonic properties

../../_images/fig_bandos_pr16242.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20688.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16241.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215835.png

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

Summary

../../_images/fig_times26731.png

(a) Computation time