mp-28468-2/KAg5S3/harm

Equation of state

../../_images/fig_bm5781.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr11856.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15882.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11856.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211567.png

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

Summary

../../_images/fig_times20119.png

(a) Computation time