mp-568666/RbAuI3/harm

Harmonic properties

../../_images/fig_bandos_pr6942.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9931.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6942.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26720.png

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

Summary

../../_images/fig_times12442.png

(a) Computation time