mp-23140-2/AgHgSI/harm

Harmonic properties

../../_images/fig_bandos_pr12910.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17298.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12910.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212606.png

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

Summary

../../_images/fig_times21849.png

(a) Computation time