mp-28387-2/PAuCl8/harm

Equation of state

../../_images/fig_bm5771.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr11836.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15852.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11836.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211547.png

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

Summary

../../_images/fig_times20080.png

(a) Computation time