mp-774794-2/Li5Sm3Sb2O12/harm

Equation of state

../../_images/fig_bm1191.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr2428.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2847.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2428.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22249.png

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

Summary

../../_images/fig_times3985.png

(a) Computation time