mp-569114/BaAg2SnSe4/harm

Harmonic properties

../../_images/fig_bandos_pr6990.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9976.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6990.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26767.png

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

Summary

../../_images/fig_times12508.png

(a) Computation time