mp-27996/H2SeO3/harm

Harmonic properties

../../_images/fig_bandos_pr11993.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16048.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11993.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211696.png

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

Summary

../../_images/fig_times20334.png

(a) Computation time