mp-728890/CuAgC3S3N7/harm

Harmonic properties

../../_images/fig_bandos_pr4228.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5842.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4228.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24041.png

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

Summary

../../_images/fig_times7473.png

(a) Computation time