mp-28627/K4Br2O/harm

Harmonic properties

../../_images/fig_bandos_pr11569.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15571.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11569.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211282.png

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

Summary

../../_images/fig_times19700.png

(a) Computation time