mp-768150/LiBi3Br2O4/harm

Harmonic properties

../../_images/fig_bandos_pr2800.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3475.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2800.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22621.png

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

Summary

../../_images/fig_times4720.png

(a) Computation time