mp-15751/Ba3Y4O9/harm

Harmonic properties

../../_images/fig_bandos_pr14324.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18727.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14324.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213951.png

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

Summary

../../_images/fig_times23915.png

(a) Computation time