mp-559545/SeO2/harm

Harmonic properties

../../_images/fig_bandos_pr7943.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11160.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7943.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27705.png

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

Summary

../../_images/fig_times14001.png

(a) Computation time