mp-37449/Nd5AgS8/harm

Harmonic properties

../../_images/fig_bandos_pr10589.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos14513.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo10589.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc210324.png

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

Summary

../../_images/fig_times18201.png

(a) Computation time