mp-8070-2/Li2BeSiO4/harm

Equation of state

../../_images/fig_bm866.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr2035.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2098.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2035.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21856.png

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

Summary

../../_images/fig_times3139.png

(a) Computation time