mp-730190-2/H4NF/harm

Harmonic properties

../../_images/fig_bandos_pr4042.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5395.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4042.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23855.png

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

Summary

../../_images/fig_times7006.png

(a) Computation time