mp-556013/Na2BeSi2O6/harm

Harmonic properties

../../_images/fig_bandos_pr8738.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12283.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8738.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28499.png

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

Summary

../../_images/fig_times15308.png

(a) Computation time