mp-12459-2/Ag3PS4/harm

Harmonic properties

../../_images/fig_bandos_pr15642.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20038.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15641.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215237.png

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

Summary

../../_images/fig_times25816.png

(a) Computation time