mp-12927/BaBe2N2/harm

Harmonic properties

../../_images/fig_bandos_pr15361.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19729.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15360.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214964.png

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

Summary

../../_images/fig_times25400.png

(a) Computation time