mp-4004-2/Ag5SbS4/harm

Equation of state

../../_images/fig_bm5164.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr10302.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos14255.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo10302.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc210052.png

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

Summary

../../_images/fig_times17803.png

(a) Computation time