mp-1080280/CeSe2/harm

Harmonic properties

../../_images/fig_bandos_pr16981.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21289.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16980.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216533.png

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

Summary

../../_images/fig_times27674.png

(a) Computation time