mp-774407/Hg2W2O7/harm

Harmonic properties

../../_images/fig_bandos_pr2399.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2800.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2399.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22220.png

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

Summary

../../_images/fig_times3937.png

(a) Computation time