mp-556463-2/KGe2BO6/harm

Equation of state

../../_images/fig_bm4319.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr8536.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11996.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8536.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28297.png

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

Summary

../../_images/fig_times14978.png

(a) Computation time