mp-1079620/CrCl2O2/harm

Harmonic properties

../../_images/fig_bandos_pr16943.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21253.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16942.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216495.png

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

Summary

../../_images/fig_times27621.png

(a) Computation time