mp-738618/NdH32C8N4Cl7/harm

Harmonic properties

../../_images/fig_bandos_pr4113.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5552.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4113.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23926.png

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

Summary

../../_images/fig_times7169.png

(a) Computation time