mp-768884/Li4B2O5/harm

Harmonic properties

../../_images/fig_bandos_pr2609.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3156.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2609.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22430.png

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

Summary

../../_images/fig_times4343.png

(a) Computation time