mp-16337-2/Ga2HgTe4/harm

Harmonic properties

../../_images/fig_bandos_pr14426.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18786.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14426.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214047.png

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

Summary

../../_images/fig_times24033.png

(a) Computation time