mp-29000-2/Na3B5S9/harm

Harmonic properties

../../_images/fig_bandos_pr11353.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15349.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11353.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211069.png

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

Summary

../../_images/fig_times19381.png

(a) Computation time