mp-1043381/Sb2O5/harm

Harmonic properties

../../_images/fig_bandos_pr17242.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21733.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo17241.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216783.png

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

Summary

../../_images/fig_times28210.png

(a) Computation time