mp-28468/KAg5S3/harm

Harmonic properties

../../_images/fig_bandos_pr11855.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15881.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11855.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211566.png

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

Summary

../../_images/fig_times20118.png

(a) Computation time