mp-28582-2/CsB3H8/harm

Harmonic properties

../../_images/fig_bandos_pr11548.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15554.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11548.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211262.png

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

Summary

../../_images/fig_times19670.png

(a) Computation time