mp-675219-2/Ba9La2S12/harm

Harmonic properties

../../_images/fig_bandos_pr5217.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7442.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5217.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25022.png

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

Summary

../../_images/fig_times9378.png

(a) Computation time