mp-766827/Li6W2O9/harm

Harmonic properties

../../_images/fig_bandos_pr2779.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3422.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2779.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22600.png

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

Summary

../../_images/fig_times4664.png

(a) Computation time