mp-27370/P10Au7I/harm

Harmonic properties

../../_images/fig_bandos_pr12055.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16129.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12055.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211757.png

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

Summary

../../_images/fig_times20436.png

(a) Computation time