mp-1229122/Ag2HgI4/harm

Harmonic properties

../../_images/fig_bandos_pr15159.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19548.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15158.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214774.png

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

Summary

../../_images/fig_times25095.png

(a) Computation time