mp-28331/V2Zn4O9/harm

Harmonic properties

../../_images/fig_bandos_pr11806.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15819.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11806.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211517.png

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

Summary

../../_images/fig_times20037.png

(a) Computation time