mp-752511-2/Li2Co2SiO6/harm

Harmonic properties

../../_images/fig_bandos_pr3905.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5185.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3905.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23718.png

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

Summary

../../_images/fig_times6762.png

(a) Computation time