mp-552663/LiScAs2O7/harm

Harmonic properties

../../_images/fig_bandos_pr9172.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12883.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9172.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28934.png

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

Summary

../../_images/fig_times16011.png

(a) Computation time