mp-556038/Ba3InB9O18/harm

Harmonic properties

../../_images/fig_bandos_pr8745.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12299.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8745.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28506.png

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

Summary

../../_images/fig_times15324.png

(a) Computation time