mp-27833/Tl2TeCl6/harm

Harmonic properties

../../_images/fig_bandos_pr11924.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15965.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11924.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211630.png

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

Summary

../../_images/fig_times20227.png

(a) Computation time