mp-773843/LiTi2P3O12/harm

Harmonic properties

../../_images/fig_bandos_pr2374.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2760.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2374.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22195.png

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

Summary

../../_images/fig_times3897.png

(a) Computation time