mp-985637/Li2Si4O7/harm

Harmonic properties

../../_images/fig_bandos_pr1115.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1048.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1115.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2981.png

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

Summary

../../_images/fig_times1674.png

(a) Computation time