mp-8874/LiSiBO4/harm

Equation of state

../../_images/fig_bm797.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr1946.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1944.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1946.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21769.png

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

Summary

../../_images/fig_times2953.png

(a) Computation time