mp-1071269/HgTe/harm

Harmonic properties

../../_images/fig_bandos_pr17133.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21529.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo17132.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216677.png

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

Summary

../../_images/fig_times27957.png

(a) Computation time