mp-16996-2/Li3GaSiO5/harm

Equation of state

../../_images/fig_bm7089.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr14153.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18547.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14153.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213781.png

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

Summary

../../_images/fig_times23665.png

(a) Computation time