mp-23612/K3B6BrO10/harm

Harmonic properties

../../_images/fig_bandos_pr12764.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17153.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12764.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212460.png

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

Summary

../../_images/fig_times21655.png

(a) Computation time