mp-780010/Ba2GeO4/harm

Harmonic properties

../../_images/fig_bandos_pr2227.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2399.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2227.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22048.png

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

Summary

../../_images/fig_times3511.png

(a) Computation time