mp-1042288/MgW2O7/harm

Harmonic properties

../../_images/fig_bandos_pr17215.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21678.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo17214.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216756.png

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

Summary

../../_images/fig_times28151.png

(a) Computation time