mp-17691/Cu3SbS3/harm

Harmonic properties

../../_images/fig_bandos_pr13978.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18358.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13978.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213606.png

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

Summary

../../_images/fig_times23405.png

(a) Computation time