mp-31075/Hg3Se2Br2/harm

Harmonic properties

../../_images/fig_bandos_pr10715.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos14637.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo10715.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc210448.png

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

Summary

../../_images/fig_times18386.png

(a) Computation time