mp-550172/SnO2/harm

Harmonic properties

../../_images/fig_bandos_pr9107.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_thermo9107.png

(b) Thermodynamic properties

Force constants

../../_images/fig_fc28869.png

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

Summary

../../_images/fig_times15922.png

(a) Computation time