mp-755231/LiTeO3/harm

Harmonic properties

../../_images/fig_bandos_pr3664.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4896.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3664.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23481.png

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

Summary

../../_images/fig_times6372.png

(a) Computation time