mp-1048795/MgTa2O6/harm

Harmonic properties

../../_images/fig_bandos_pr17108.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21504.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo17107.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216660.png

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

Summary

../../_images/fig_times27916.png

(a) Computation time