mp-634/HgS/harm

Harmonic properties

../../_images/fig_bandos_pr418.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos390.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo418.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2348.png

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

Summary

../../_images/fig_times652.png

(a) Computation time