mp-505212/Cs3AuO/harm

Harmonic properties

../../_images/fig_bandos_pr9858.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13766.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9858.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29613.png

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

Summary

../../_images/fig_times17133.png

(a) Computation time