mp-560188/Ba4NaAuO8/harm

Harmonic properties

../../_images/fig_bandos_pr7776.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10916.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7776.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27539.png

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

Summary

../../_images/fig_times13722.png

(a) Computation time