mp-9731-2/RbAuSe/harm

Equation of state

../../_images/fig_bm412.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr1212.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1120.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1212.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21078.png

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

Summary

../../_images/fig_times1814.png

(a) Computation time