mp-9900/Ag2GeS3/harm

Harmonic properties

../../_images/fig_bandos_pr1279.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1187.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1279.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21145.png

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

Summary

../../_images/fig_times1910.png

(a) Computation time