mp-553926/NaLiB4O7/harm

Harmonic properties

../../_images/fig_bandos_pr9212.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12919.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9212.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28974.png

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

Summary

../../_images/fig_times16067.png

(a) Computation time