mp-568346-2/HfBrN/harm

Harmonic properties

../../_images/fig_bandos_pr7271.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10256.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7271.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27037.png

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

Summary

../../_images/fig_times12911.png

(a) Computation time