mp-570256-2/Ag2HgI4/harm

Harmonic properties

../../_images/fig_bandos_pr6790.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9747.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6790.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26577.png

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

Summary

../../_images/fig_times12185.png

(a) Computation time