mp-1404844/W3O8/harm

Harmonic properties

../../_images/fig_bandos_pr14571.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18929.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14571.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214190.png

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

Summary

../../_images/fig_times24241.png

(a) Computation time