mp-1045734/MgV2O6/harm

Harmonic properties

../../_images/fig_bandos_pr17051.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21398.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo17050.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216603.png

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

Summary

../../_images/fig_times27798.png

(a) Computation time