mp-554105-2/CdAg2GeS4/harm

Equation of state

../../_images/fig_bm4655.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr9269.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12990.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9269.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29031.png

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

Summary

../../_images/fig_times16151.png

(a) Computation time