mp-736446-2/InH8C8N4Cl7/harm

Harmonic properties

../../_images/fig_bandos_pr4109.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5544.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4109.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23922.png

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

Summary

../../_images/fig_times7161.png

(a) Computation time