mp-554710/AgAsC4S8N4F6/harm

Harmonic properties

../../_images/fig_bandos_pr9058.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12770.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9058.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28820.png

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

Summary

../../_images/fig_times15854.png

(a) Computation time