mp-774146/WBr2O2/harm

Harmonic properties

../../_images/fig_bandos_pr2385.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2781.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2385.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22206.png

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

Summary

../../_images/fig_times3918.png

(a) Computation time