mp-28361-2/Al2CdCl8/harm

Equation of state

../../_images/fig_bm5763.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr11822.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15836.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11822.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211533.png

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

Summary

../../_images/fig_times20058.png

(a) Computation time