mp-553926-2/NaLiB4O7/harm

Equation of state

../../_images/fig_bm4628.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr9213.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12920.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9213.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28975.png

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

Summary

../../_images/fig_times16068.png

(a) Computation time