mp-754712/NClO3/harm

Harmonic properties

../../_images/fig_bandos_pr3581.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4803.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3581.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23399.png

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

Summary

../../_images/fig_times6238.png

(a) Computation time