mp-557832-2/K2CdAu4S4/harm

Equation of state

../../_images/fig_bm4194.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr8196.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11527.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8196.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27958.png

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

Summary

../../_images/fig_times14424.png

(a) Computation time