mp-23352-2/GeBi12O20/harm

Harmonic properties

../../_images/fig_bandos_pr12634.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17005.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12634.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212331.png

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

Summary

../../_images/fig_times21462.png

(a) Computation time