mp-757434/LiSi6Bi9O26/harm

Equation of state

../../_images/fig_bm1437.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr3156.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4138.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3156.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22975.png

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

Summary

../../_images/fig_times5459.png

(a) Computation time