mp-30150/GaBH6/harm

Harmonic properties

../../_images/fig_bandos_pr11083.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15015.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11083.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc210805.png

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

Summary

../../_images/fig_times18935.png

(a) Computation time