mp-569360/Hg/harm

Harmonic properties

../../_images/fig_bandos_pr7017.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9997.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7017.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26794.png

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

Summary

../../_images/fig_times12542.png

(a) Computation time