mp-1224853/GaAgTeSe/harm

Harmonic properties

../../_images/fig_bandos_pr15064.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19424.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15063.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214680.png

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

Summary

../../_images/fig_times24931.png

(a) Computation time