mp-1105968/BH6N/harm

Harmonic properties

../../_images/fig_bandos_pr16252.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20699.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16251.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215845.png

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

Summary

../../_images/fig_times26747.png

(a) Computation time