mp-755634-2/Y2HgO4/harm

Harmonic properties

../../_images/fig_bandos_pr3447.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4594.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3447.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23265.png

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

Summary

../../_images/fig_times5988.png

(a) Computation time