mp-2247-2/AgN3/harm

Harmonic properties

../../_images/fig_bandos_pr13182.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17579.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13182.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212840.png

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

Summary

../../_images/fig_times22260.png

(a) Computation time