mp-866613/CsNa2Be6B5O15/harm

Harmonic properties

../../_images/fig_bandos_pr1615.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1544.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1615.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21448.png

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

Summary

../../_images/fig_times2425.png

(a) Computation time