mp-989512/LiTl2InCl6/harm

Harmonic properties

../../_images/fig_bandos_pr793.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos701.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo793.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2693.png

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

Summary

../../_images/fig_times1195.png

(a) Computation time