mp-626289/H3NO4/harm

Harmonic properties

../../_images/fig_bandos_pr5771.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8344.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5771.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25567.png

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

Summary

../../_images/fig_times10459.png

(a) Computation time