mp-997027/AuO2F/harm

Harmonic properties

../../_images/fig_bandos_pr932.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos876.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo932.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2823.png

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

Summary

../../_images/fig_times1397.png

(a) Computation time