mp-766828/Li4Ti15O32/harm

Harmonic properties

../../_images/fig_bandos_pr2780.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3423.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2780.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22601.png

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

Summary

../../_images/fig_times4665.png

(a) Computation time