mp-626259/H3NO4/harm

Harmonic properties

../../_images/fig_bandos_pr5763.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8322.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5763.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25559.png

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

Summary

../../_images/fig_times10437.png

(a) Computation time