mp-27254/BaTe2O6/harm

Harmonic properties

../../_images/fig_bandos_pr12310.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16511.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12310.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212009.png

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

Summary

../../_images/fig_times20884.png

(a) Computation time