mp-7667/K2S3/harm

Harmonic properties

../../_images/fig_bandos_pr4625.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6444.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4625.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24437.png

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

Summary

../../_images/fig_times8216.png

(a) Computation time