mp-542676-2/Lu2Te4O11/harm

Equation of state

../../_images/fig_bm4688.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr9334.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13090.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9334.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29096.png

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

Summary

../../_images/fig_times16267.png

(a) Computation time