mp-1044569/Ba2YSn2F11/harm

Harmonic properties

../../_images/fig_bandos_pr17034.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21370.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo17033.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216586.png

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

Summary

../../_images/fig_times27769.png

(a) Computation time