mp-38442/CsNd5Se8/harm

Harmonic properties

../../_images/fig_bandos_pr10623.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos14554.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo10623.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc210357.png

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

Summary

../../_images/fig_times18255.png

(a) Computation time