mp-555606-2/Na10Be4Si4O17/harm

Equation of state

../../_images/fig_bm4370.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr8646.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12146.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8646.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28407.png

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

Summary

../../_images/fig_times15155.png

(a) Computation time