mp-727093-2/CuC9S2NF10/harm

Harmonic properties

../../_images/fig_bandos_pr4213.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5799.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4213.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24026.png

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

Summary

../../_images/fig_times7430.png

(a) Computation time