mp-9770-2/Ag8GeS6/harm

Equation of state

../../_images/fig_bm421.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr1229.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1139.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1229.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21095.png

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

Summary

../../_images/fig_times1840.png

(a) Computation time