mp-996961/LiAuO2/harm

Harmonic properties

../../_images/fig_bandos_pr910.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_thermo910.png

(b) Thermodynamic properties

Force constants

../../_images/fig_fc2801.png

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

Summary

../../_images/fig_times1354.png

(a) Computation time