mp-1224952/Ga2CuAgTe2Se2/harm

Harmonic properties

../../_images/fig_bandos_pr15070.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19429.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15069.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214686.png

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

Summary

../../_images/fig_times24937.png

(a) Computation time