mp-18274/Ba4LiNb3O12/harm

Harmonic properties

../../_images/fig_bandos_pr13823.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18222.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13823.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213451.png

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

Summary

../../_images/fig_times23185.png

(a) Computation time