mp-29816-2/Ag2HgO2/harm

Equation of state

../../_images/fig_bm5528.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr11322.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15302.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11322.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211038.png

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

Summary

../../_images/fig_times19322.png

(a) Computation time