mp-553950-2/Li10Si2PbO10/harm

Equation of state

../../_images/fig_bm4631.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr9219.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12928.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9219.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28981.png

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

Summary

../../_images/fig_times16076.png

(a) Computation time