mp-850190/Li4TiTe3O12/harm

Harmonic properties

../../_images/fig_bandos_pr1714.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1699.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1714.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21547.png

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

Summary

../../_images/fig_times2602.png

(a) Computation time