mp-779161/Na4Bi2B4SO16/harm

Harmonic properties

../../_images/fig_bandos_pr2192.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2290.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2192.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22013.png

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

Summary

../../_images/fig_times3396.png

(a) Computation time