mp-22086-2/Ba3WO6/harm

Harmonic properties

../../_images/fig_bandos_pr13019.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17400.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13019.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212699.png

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

Summary

../../_images/fig_times22004.png

(a) Computation time