mp-30890/Hg3SO6/harm

Harmonic properties

../../_images/fig_bandos_pr11120.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_thermo11120.png

(b) Thermodynamic properties

Force constants

../../_images/fig_fc210837.png

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

Summary

../../_images/fig_times19007.png

(a) Computation time