mp-570572/C3N4/harm

Harmonic properties

../../_images/fig_bandos_pr6830.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9791.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6830.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26615.png

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

Summary

../../_images/fig_times12252.png

(a) Computation time