mp-1705/Sb2O5/harm

Harmonic properties

../../_images/fig_bandos_pr207.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos223.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo207.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2191.png

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

Summary

../../_images/fig_times344.png

(a) Computation time