mp-697139-2/PHN2/harm

Harmonic properties

../../_images/fig_bandos_pr4668.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6479.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4668.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24479.png

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

Summary

../../_images/fig_times8272.png

(a) Computation time