mp-27344-2/BeB2H8/harm

Harmonic properties

../../_images/fig_bandos_pr12044.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16113.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12044.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211746.png

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

Summary

../../_images/fig_times20414.png

(a) Computation time