mp-552663-2/LiScAs2O7/harm

Equation of state

../../_images/fig_bm4613.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr9173.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12884.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9173.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28935.png

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

Summary

../../_images/fig_times16012.png

(a) Computation time