mp-651723/C5N4/harm

Harmonic properties

../../_images/fig_bandos_pr5331.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7653.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5331.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25136.png

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

Summary

../../_images/fig_times9626.png

(a) Computation time