mp-1206032/Ba2UGeO6/harm

Harmonic properties

../../_images/fig_bandos_pr15438.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19817.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15437.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215041.png

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

Summary

../../_images/fig_times25520.png

(a) Computation time