mp-24055/KCoH6N6O8/harm

Harmonic properties

../../_images/fig_bandos_pr12613.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16981.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12613.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212311.png

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

Summary

../../_images/fig_times21434.png

(a) Computation time