mp-772783/Li2Mg3Ti6O16/harm

Harmonic properties

../../_images/fig_bandos_pr2588.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3126.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2588.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22409.png

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

Summary

../../_images/fig_times4303.png

(a) Computation time