mp-685194/Li4Ti5O12/harm

Equation of state

../../_images/fig_bm2482.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr5013.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7030.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5013.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24818.png

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

Summary

../../_images/fig_times8921.png

(a) Computation time