mp-755376/Er2TeO6/harm

Harmonic properties

../../_images/fig_bandos_pr3693.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4925.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3693.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23509.png

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

Summary

../../_images/fig_times6416.png

(a) Computation time