mp-557574/Cu2HgGeS4/harm

Harmonic properties

../../_images/fig_bandos_pr8133.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11434.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8133.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27895.png

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

Summary

../../_images/fig_times14321.png

(a) Computation time