mp-1095485-2/BaGeP2O8/harm

Harmonic properties

../../_images/fig_bandos_pr16692.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21044.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16691.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216261.png

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

Summary

../../_images/fig_times27271.png

(a) Computation time