mp-15776-2/ZnGa2Se4/harm

Harmonic properties

../../_images/fig_bandos_pr14327.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18730.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14327.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213954.png

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

Summary

../../_images/fig_times23918.png

(a) Computation time