mp-767392/Li7Ti7Nb5O30/harm

Harmonic properties

../../_images/fig_bandos_pr2789.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3449.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2789.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22610.png

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

Summary

../../_images/fig_times4692.png

(a) Computation time