mp-1047763/MgSb2O4/harm

Harmonic properties

../../_images/fig_bandos_pr17095.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21474.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo17094.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216647.png

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

Summary

../../_images/fig_times27883.png

(a) Computation time