mp-17954/BaCu2SnS4/harm

Harmonic properties

../../_images/fig_bandos_pr14089.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18471.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14089.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213717.png

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

Summary

../../_images/fig_times23561.png

(a) Computation time