mp-849797-2/B6H10C2SBr/harm

Equation of state

../../_images/fig_bm658.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr1710.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1690.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1710.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21543.png

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

Summary

../../_images/fig_times2593.png

(a) Computation time