mp-1224849/Ga2Ag2TeSe3/harm

Harmonic properties

../../_images/fig_bandos_pr15062.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19422.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15061.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214678.png

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

Summary

../../_images/fig_times24929.png

(a) Computation time