mp-30159/AuBrF6/harm

Harmonic properties

../../_images/fig_bandos_pr11084.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15018.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11084.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc210806.png

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

Summary

../../_images/fig_times18938.png

(a) Computation time