mp-1042857/MgTiGe2O6/harm

Harmonic properties

../../_images/fig_bandos_pr17230.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21710.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo17229.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216771.png

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

Summary

../../_images/fig_times28185.png

(a) Computation time