mp-558010/KErW2O8/harm

Harmonic properties

../../_images/fig_bandos_pr8242.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11590.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8242.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28004.png

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

Summary

../../_images/fig_times14494.png

(a) Computation time