mp-8673-2/Li2SnTeO6/harm

Equation of state

../../_images/fig_bm762.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr1873.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1896.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1873.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21696.png

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

Summary

../../_images/fig_times2864.png

(a) Computation time