mp-772993-2/Li2Ti7Nb6O30/harm

Equation of state

../../_images/fig_bm1127.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr2332.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2689.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2332.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22153.png

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

Summary

../../_images/fig_times3823.png

(a) Computation time