mp-570545/Cs2ZnFeC6N6/harm

Harmonic properties

../../_images/fig_bandos_pr6821.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9786.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6821.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26606.png

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

Summary

../../_images/fig_times12242.png

(a) Computation time