mp-8683-2/K5As2Au/harm

Equation of state

../../_images/fig_bm764.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr1878.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1899.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1878.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21701.png

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

Summary

../../_images/fig_times2869.png

(a) Computation time