mp-1106233/KNbCu2S4/harm

Harmonic properties

../../_images/fig_bandos_pr16262.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_thermo16261.png

(b) Thermodynamic properties

Force constants

../../_images/fig_fc215855.png

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

Summary

../../_images/fig_times26759.png

(a) Computation time