mp-555825/Na4Sc2Si4O13/harm

Harmonic properties

../../_images/fig_bandos_pr8682.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12201.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8682.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28443.png

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

Summary

../../_images/fig_times15215.png

(a) Computation time