mp-556463/KGe2BO6/harm

Harmonic properties

../../_images/fig_bandos_pr8535.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11995.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8535.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28296.png

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

Summary

../../_images/fig_times14977.png

(a) Computation time