mp-29816/Ag2HgO2/harm

Harmonic properties

../../_images/fig_bandos_pr11321.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15301.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11321.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211037.png

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

Summary

../../_images/fig_times19321.png

(a) Computation time