mp-774557/Er2TeO6/harm

Harmonic properties

../../_images/fig_bandos_pr2415.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2822.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2415.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22236.png

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

Summary

../../_images/fig_times3959.png

(a) Computation time