mp-757964/LiSn2P5O16/harm

Equation of state

../../_images/fig_bm1477.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr3206.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4231.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3206.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23025.png

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

Summary

../../_images/fig_times5556.png

(a) Computation time