mp-563/C3N4/harm

Harmonic properties

../../_images/fig_bandos_pr408.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos382.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo408.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2338.png

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

Summary

../../_images/fig_times641.png

(a) Computation time