mp-757434-2/LiSi6Bi9O26/harm

Harmonic properties

../../_images/fig_bandos_pr3157.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4139.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3157.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22976.png

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

Summary

../../_images/fig_times5460.png

(a) Computation time