mp-504908/In2TeO6/harm

Harmonic properties

../../_images/fig_bandos_pr9830.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13730.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9830.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29585.png

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

Summary

../../_images/fig_times17088.png

(a) Computation time