mp-569790/BaAg2GeSe4/harm

Harmonic properties

../../_images/fig_bandos_pr7058.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10031.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7058.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26834.png

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

Summary

../../_images/fig_times12601.png

(a) Computation time