mp-9538-2/Ag3AsS4/harm

Equation of state

../../_images/fig_bm383.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr1148.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1076.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1148.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21014.png

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

Summary

../../_images/fig_times1724.png

(a) Computation time