mp-17146-2/K2S5/harm

Harmonic properties

../../_images/fig_bandos_pr14200.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18587.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14200.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213828.png

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

Summary

../../_images/fig_times23728.png

(a) Computation time