mp-4431/Ag3AsS3/harm

Harmonic properties

../../_images/fig_bandos_pr10408.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos14352.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo10408.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc210151.png

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

Summary

../../_images/fig_times17956.png

(a) Computation time