mp-776589-2/Li9Sb3P8O29/harm

Equation of state

../../_images/fig_bm1107.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr2300.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2615.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2300.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22121.png

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

Summary

../../_images/fig_times3744.png

(a) Computation time