mp-13872/SiCu8S6/harm

Harmonic properties

../../_images/fig_bandos_pr14986.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19350.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14985.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214603.png

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

Summary

../../_images/fig_times24825.png

(a) Computation time