mp-15252/Cu2GeS3/harm

Harmonic properties

../../_images/fig_bandos_pr14614.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18995.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14614.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214233.png

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

Summary

../../_images/fig_times24318.png

(a) Computation time