mp-20343/NaAuO2/harm

Harmonic properties

../../_images/fig_bandos_pr13464.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17824.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13464.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213100.png

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

Summary

../../_images/fig_times22659.png

(a) Computation time