mp-542676/Lu2Te4O11/harm

Harmonic properties

../../_images/fig_bandos_pr9333.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13089.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9333.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29095.png

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

Summary

../../_images/fig_times16266.png

(a) Computation time