mp-12814/Ba3SbN/harm

Harmonic properties

../../_images/fig_bandos_pr15700.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20069.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15699.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215295.png

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

Summary

../../_images/fig_times25881.png

(a) Computation time