mp-1110596/Rb2AlAuF6/harm

Harmonic properties

../../_images/fig_bandos_pr16285.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20723.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16284.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215878.png

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

Summary

../../_images/fig_times26785.png

(a) Computation time