mp-1388058/TeWO6/harm

Harmonic properties

../../_images/fig_bandos_pr14652.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19029.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14652.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214271.png

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

Summary

../../_images/fig_times24367.png

(a) Computation time