mp-6376/KVCu2S4/harm

Harmonic properties

../../_images/fig_bandos_pr6390.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_thermo6390.png

(b) Thermodynamic properties

Force constants

../../_images/fig_fc26180.png

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

Summary

../../_images/fig_times11522.png

(a) Computation time