mp-1080260/CeSe2/harm

Harmonic properties

../../_images/fig_bandos_pr16978.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21282.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16977.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216530.png

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

Summary

../../_images/fig_times27667.png

(a) Computation time