mp-9881-2/KAuSe/harm

Equation of state

../../_images/fig_bm443.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr1275.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1181.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1275.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21141.png

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

Summary

../../_images/fig_times1902.png

(a) Computation time