mp-1042302/ZnW2O7/harm

Harmonic properties

../../_images/fig_bandos_pr17218.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21682.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo17217.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216759.png

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

Summary

../../_images/fig_times28155.png

(a) Computation time