mp-567218/KAuN12/harm

Harmonic properties

../../_images/fig_bandos_pr7142.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10133.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7142.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26913.png

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

Summary

../../_images/fig_times12733.png

(a) Computation time