mp-1819/SbO2/harm

Harmonic properties

../../_images/fig_bandos_pr223.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos239.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo223.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2201.png

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

Summary

../../_images/fig_times369.png

(a) Computation time