mp-1020159/Na2SiS6O21/harm

Harmonic properties

../../_images/fig_bandos_pr89.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos104.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo89.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc288.png

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

Summary

../../_images/fig_times153.png

(a) Computation time