mp-1220820/NaBi3Cl2O4/harm

Harmonic properties

../../_images/fig_bandos_pr15296.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19681.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15295.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214904.png

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

Summary

../../_images/fig_times25313.png

(a) Computation time