mp-757758/LiTi3NbP6O24/harm

Harmonic properties

../../_images/fig_bandos_pr3176.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4186.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3176.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22995.png

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

Summary

../../_images/fig_times5508.png

(a) Computation time