mp-29960/CaC4N6/harm

Harmonic properties

../../_images/fig_bandos_pr11048.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos14976.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11048.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc210772.png

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

Summary

../../_images/fig_times18871.png

(a) Computation time