mp-12364/BaCu2SnSe4/harm

Harmonic properties

../../_images/fig_bandos_pr15612.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20019.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15611.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215207.png

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

Summary

../../_images/fig_times25780.png

(a) Computation time