mp-1047381/SnO2/harm

Harmonic properties

../../_images/fig_bandos_pr17088.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21455.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo17087.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216640.png

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

Summary

../../_images/fig_times27860.png

(a) Computation time