mp-556866/Ag2HgSI2/harm

Harmonic properties

../../_images/fig_bandos_pr8316.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11699.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8316.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28078.png

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

Summary

../../_images/fig_times14615.png

(a) Computation time