mp-13982/CdCu2GeS4/harm

Equation of state

../../_images/fig_bm7536.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr15021.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19370.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15020.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214638.png

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

Summary

../../_images/fig_times24862.png

(a) Computation time