mp-708994/SbH32C8N4Cl7/harm

Harmonic properties

../../_images/fig_bandos_pr4285.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5986.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4285.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24098.png

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

Summary

../../_images/fig_times7623.png

(a) Computation time