mp-29306/B5H4N2/harm

Harmonic properties

../../_images/fig_bandos_pr11484.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15491.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11484.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211199.png

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

Summary

../../_images/fig_times19580.png

(a) Computation time