mp-15349-2/Li2GeO3/harm

Equation of state

../../_images/fig_bm7317.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr14630.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19009.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14630.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214249.png

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

Summary

../../_images/fig_times24336.png

(a) Computation time