mp-1079541-2/ZnCu2SnS4/harm

Harmonic properties

../../_images/fig_bandos_pr16933.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21243.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16932.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216486.png

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

Summary

../../_images/fig_times27607.png

(a) Computation time