mp-16737/Na2BeB2O5/harm

Harmonic properties

../../_images/fig_bandos_pr14471.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18821.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14471.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214091.png

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

Summary

../../_images/fig_times24093.png

(a) Computation time