mp-31064/B6H10N/harm

Harmonic properties

../../_images/fig_bandos_pr10711.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos14631.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo10711.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc210444.png

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

Summary

../../_images/fig_times18380.png

(a) Computation time