mp-772993/Li2Ti7Nb6O30/harm

Harmonic properties

../../_images/fig_bandos_pr2331.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2688.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2331.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22152.png

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

Summary

../../_images/fig_times3822.png

(a) Computation time