mp-1040452/CeSe2/harm

Harmonic properties

../../_images/fig_bandos_pr17193.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21596.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo17192.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216734.png

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

Summary

../../_images/fig_times28062.png

(a) Computation time