mp-1110595/Rb2AsAuF6/harm

Harmonic properties

../../_images/fig_bandos_pr16284.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20722.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16283.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215877.png

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

Summary

../../_images/fig_times26784.png

(a) Computation time