mp-680493/K3CoC6N6/harm

Harmonic properties

../../_images/fig_bandos_pr5170.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7369.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5170.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24975.png

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

Summary

../../_images/fig_times9291.png

(a) Computation time