mp-696597-2/B5H9/harm

Harmonic properties

../../_images/fig_bandos_pr4903.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6846.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4903.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24712.png

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

Summary

../../_images/fig_times8707.png

(a) Computation time