mp-1020599/Na5BS4O16/harm

Harmonic properties

../../_images/fig_bandos_pr103.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos116.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo103.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2102.png

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

Summary

../../_images/fig_times173.png

(a) Computation time