mp-1111089/Na2AsAuF6/harm

Harmonic properties

../../_images/fig_bandos_pr16335.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20768.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16334.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215925.png

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

Summary

../../_images/fig_times26835.png

(a) Computation time