mp-866613-2/CsNa2Be6B5O15/harm

Equation of state

../../_images/fig_bm598.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr1616.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1545.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1616.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21449.png

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

Summary

../../_images/fig_times2426.png

(a) Computation time