mp-10428-2/Cu8SiSe6/harm

Harmonic properties

../../_images/fig_bandos_pr574.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos498.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo574.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2492.png

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

Summary

../../_images/fig_times842.png

(a) Computation time