mp-27767-2/Li6Si2O7/harm

Harmonic properties

../../_images/fig_bandos_pr11889.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15927.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11889.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211600.png

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

Summary

../../_images/fig_times20174.png

(a) Computation time