mp-706430/H3NO4/harm

Harmonic properties

../../_images/fig_bandos_pr4457.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6257.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4457.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24270.png

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

Summary

../../_images/fig_times7946.png

(a) Computation time