mp-672372/K2S5/harm

Harmonic properties

../../_images/fig_bandos_pr5391.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7781.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5391.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25196.png

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

Summary

../../_images/fig_times9772.png

(a) Computation time