mp-1194584/Hg3Te2SeO10/harm

Harmonic properties

../../_images/fig_bandos_pr15876.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20288.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15875.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215471.png

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

Summary

../../_images/fig_times26162.png

(a) Computation time