mp-863365-2/Li2SnP4O12/harm

Equation of state

../../_images/fig_bm551.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr1520.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1421.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1520.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21367.png

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

Summary

../../_images/fig_times2266.png

(a) Computation time