mp-1079714-2/SiHgP2/harm

Harmonic properties

../../_images/fig_bandos_pr16955.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21262.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16954.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216507.png

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

Summary

../../_images/fig_times27636.png

(a) Computation time