mp-1042320/ZnMo2O7/harm

Harmonic properties

../../_images/fig_bandos_pr17221.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21685.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo17220.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216762.png

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

Summary

../../_images/fig_times28158.png

(a) Computation time