mp-1080659/OsC/harm

Harmonic properties

../../_images/fig_bandos_pr16992.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21301.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16991.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216544.png

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

Summary

../../_images/fig_times27692.png

(a) Computation time