mp-1102681-2/CN2/harm

Harmonic properties

../../_images/fig_bandos_pr16550.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20937.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16549.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216125.png

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

Summary

../../_images/fig_times27088.png

(a) Computation time