mp-866661/K3DyAs2S8/harm

Harmonic properties

../../_images/fig_bandos_pr1625.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1565.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1625.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21458.png

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

Summary

../../_images/fig_times2447.png

(a) Computation time