mp-756294/Li2Ti2O5/harm

Harmonic properties

../../_images/fig_bandos_pr3275.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4337.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3275.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23094.png

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

Summary

../../_images/fig_times5674.png

(a) Computation time