mp-1223929/InCuGeS4/harm

Harmonic properties

../../_images/fig_bandos_pr15046.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19393.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15045.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214662.png

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

Summary

../../_images/fig_times24898.png

(a) Computation time