mp-774752/Li2MgTi3O8/harm

Harmonic properties

../../_images/fig_bandos_pr2425.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2843.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2425.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22246.png

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

Summary

../../_images/fig_times3981.png

(a) Computation time