mp-554071/Na8Nb2Cu4S21/harm

Harmonic properties

../../_images/fig_bandos_pr9254.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12974.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9254.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29016.png

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

Summary

../../_images/fig_times16132.png

(a) Computation time