mp-1103149/AgMoH4S4N/harm

Harmonic properties

../../_images/fig_bandos_pr16562.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20947.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16561.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216137.png

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

Summary

../../_images/fig_times27104.png

(a) Computation time