mp-12457-2/LuCuS2/harm

Harmonic properties

../../_images/fig_bandos_pr15640.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20036.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15639.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215235.png

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

Summary

../../_images/fig_times25814.png

(a) Computation time