mp-770456/Li6Ti2O7/harm

Harmonic properties

../../_images/fig_bandos_pr2715.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3313.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2715.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22536.png

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

Summary

../../_images/fig_times4538.png

(a) Computation time