mp-740707-2/H8AuC2S2BrN4/harm

Harmonic properties

../../_images/fig_bandos_pr4118.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5565.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4118.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23931.png

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

Summary

../../_images/fig_times7182.png

(a) Computation time