mp-27820-2/B7H10/harm

Harmonic properties

../../_images/fig_bandos_pr11913.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15959.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11913.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211624.png

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

Summary

../../_images/fig_times20215.png

(a) Computation time